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  • American Institute of Physics (AIP)  (154,867)
  • 1
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    American Institute of Physics (AIP)
    Publication Date: 2016-02-25
    Description: We discuss growth and magnetic properties of high-quality two dimensional (2D) Sn 1−x Mn x Se 2 films. Thin films of this 2D ternary alloy with a wide range of Mn concentrations were successfully grown by molecular beam epitaxy. Mn concentrations up to x ≈ 0.60 were achieved without destroying the crystal structure of the parent SnSe 2 2D system. Most important, the specimens show clear weak ferromagnetic behavior above room temperature, which should be of interest for 2D spintronic applications.
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  • 2
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    American Institute of Physics (AIP)
    Publication Date: 2016-02-25
    Description: Electric field control of magnetization and anisotropy in layered structures with perpendicular magnetic anisotropy is expected to increase the versatility of spintronic devices. As a model system for reversible voltage induced changes of magnetism by magnetoionic effects, we present several oxide/metal heterostructures polarized in an electrolyte. Room temperature magnetization of Fe-O/Fe layers can be changed by 64% when applying only a few volts in 1M KOH. In a next step, the bottom interface of the in-plane magnetized Fe layer is functionalized by an L1 0 FePt(001) underlayer exhibiting perpendicular magnetic anisotropy. During subsequent electrocrystallization and electrooxidation, well defined epitaxial Fe 3 O 4 /Fe/FePt heterostructures evolve. The application of different voltages leads to a thickness change of the Fe layer sandwiched between Fe-O and FePt. At the point of transition between rigid magnet and exchange spring magnet regime for the Fe/FePt bilayer, this induces a large variation of magnetic anisotropy.
    Electronic ISSN: 2166-532X
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  • 3
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    American Institute of Physics (AIP)
    Publication Date: 2016-02-25
    Description: Solution processable semiconductor oxides have opened a new paradigm for the enhancement of the lifetime of thin film solar cells. Their fabrication by low-cost and environmentally friendly solution-processable methods makes them ideal barrier (hole and electron) transport layers. In this work, we fabricate flexible ITO-free organic solar cells (OPV) by printing methods applying an aqueous solution-processed V 2 O 5 as the hole transport layer (HTL) and compared them to devices applying PEDOT:PSS. The transparent conducting electrode was PET/Ag/PEDOT/ZnO, and the OPV configuration was PET/Ag/PEDOT/ZnO/P3HT:PC 60 BM/HTL/Ag. Outdoor stability analyses carried out for more than 900 h revealed higher stability for devices fabricated with the aqueous solution-processed V 2 O 5 .
    Electronic ISSN: 2166-532X
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  • 4
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-02
    Description: The magnetoelectric effects are investigated in a cubic compound SrCuTe 2 O 6 , in which uniform Cu 2+ ( S = 1/2) spin chains with considerable spin frustration exhibit a concomitant antiferromagnetic transition and dielectric constant peak at T N ≈ 5.5 K. Pyroelectric J p ( T ) and magnetoelectric current J ME ( H ) measurements in the presence of a bias electric field are used to reveal that SrCuTe 2 O 6 shows clear variations of J p ( T ) across T N at constant magnetic fields. Furthermore, isothermal measurements of J ME ( H ) also develop clear peaks at finite magnetic fields, of which traces are consistent with the spin-flop transitions observed in the magnetization studies. As a result, the anomalies observed in J p ( T ) and J ME ( H ) curves match well with the field-temperature phase diagram constructed from magnetization and dielectric constant measurements, demonstrating that SrCuTe 2 O 6 is a new magnetoelectric compound with S = 1/2 spin chains.
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  • 5
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-04
    Description: We observe current induced spin transfer torque resonance in permalloy (Py) grown on monolayer MoS 2 . By passing rf current through the Py/MoS 2 bilayer, field-like and damping-like torques are induced which excite the ferromagnetic resonance of Py. The signals are detected via a homodyne voltage from anisotropic magnetoresistance of Py. In comparison to other bilayer systems with strong spin-orbit torques, the monolayer MoS 2 cannot provide bulk spin Hall effects and thus indicates the purely interfacial nature of the spin transfer torques. Therefore our results indicate the potential of two-dimensional transition-metal dichalcogenide for the use of interfacial spin-orbitronics applications.
    Electronic ISSN: 2166-532X
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  • 6
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-08
    Description: Computational capability has enabled materials design to evolve from trial-and-error towards more informed methodologies that require large amounts of data. Expert-designed tools and their underlying databases facilitate modern-day high throughput computational methods. Standard data formats and communication standards increase the impact of traditional data, and applying these technologies to a high throughput experimental design provides dense, targeted materials data that are valuable for material discovery. Integrated computational materials engineering requires both experimentally and computationally derived data. Harvesting these comprehensively requires different methods of varying degrees of automation to accommodate variety and volume. Issues of data quality persist independent of type.
    Electronic ISSN: 2166-532X
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  • 7
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-10
    Description: Magnetocaloric materials are promising as solid state refrigerants for more efficient and environmentally friendly cooling devices. The highest effects have been observed in materials that exhibit a first-order phase transition. These transformations proceed by nucleation and growth which lead to a hysteresis. Such irreversible processes are undesired since they heat up the material and reduce the efficiency of any cooling application. In this article, we demonstrate an approach to decrease the hysteresis by locally changing the nucleation barrier. We created artificial nucleation sites and analyzed the nucleation and growth processes in their proximity. We use Ni-Mn-Ga, a shape memory alloy that exhibits a martensitic transformation. Epitaxial films serve as a model system, but their high surface-to-volume ratio also allows for a fast heat transfer which is beneficial for a magnetocaloric regenerator geometry. Nanoindentation is used to create a well-defined defect. We quantify the austenite phase fraction in its proximity as a function of temperature which allows us to determine the influence of the defect on the transformation.
    Electronic ISSN: 2166-532X
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  • 8
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-11
    Description: We demonstrate the selective fabrication of Ruddlesden-Popper (RP) type SrIrO 3 , Sr 3 Ir 2 O 7 , and Sr 2 IrO 4 epitaxial thin films from a single SrIrO 3 target using pulsed laser deposition (PLD). We identified that the growth conditions stabilizing each phase directly map onto the phase diagram expected from thermodynamic equilibria. This approach allows precise cation stoichiometry control as evidenced by the stabilization of single phase Sr 3 Ir 2 O 7 for the first time, overcoming the close thermodynamic stability between neighboring RP phases. Despite the non-equilibrium nature of PLD, these results highlight the importance of thermodynamic guiding principles to strategically synthesize the targeted phase in complex oxide thin films.
    Electronic ISSN: 2166-532X
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  • 9
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-11
    Description: We established a process for growing highly ordered MoS 2 thin films. The process consists of four steps: MoO 3 thermal evaporation, first annealing, sulfurization, and second annealing. The main feature of this process is that thermally deposited MoO 3 thin films are employed as a precursor for the MoS 2 films. The first deposition step enabled us to achieve precise control of the resulting thickness of the MoS 2 films with high uniformity. The crystalline structures, surface morphologies, and chemical states at each step were characterized by X-ray diffraction, atomic force microscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy. Based on these characterizations and a careful optimization of the growth conditions, we successfully produced a highly oriented MoS 2 thin film with a thickness of five monolayers over an entire one-centimeter-square sapphire substrate.
    Electronic ISSN: 2166-532X
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  • 10
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-16
    Description: The molecular beam epitaxy (MBE) technique is well known for producing atomically smooth thin films as well as impeccable interfaces in multilayers of many different materials. In particular, molecular beam epitaxy is well suited to the growth of complex oxides, materials that hold promise for many applications. Rapid synthesis and high throughput characterization techniques are needed to tap into that potential most efficiently. We discuss our approach to doing that, leaving behind the traditional one-growth-one-compound scheme and instead implementing combinatorial oxide molecular beam epitaxy in a custom built system.
    Electronic ISSN: 2166-532X
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  • 11
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-16
    Description: We investigate spin relaxation in graphene by systematically comparing the roles of spin absorption, other contact-induced effects (e.g., fringe fields), and bulk spin relaxation for graphene spin valves with MgO barriers, Al 2 O 3 barriers, and transparent contacts. We obtain effective spin lifetimes by fitting the Hanle spin precession data with two models that include or exclude the effect of spin absorption. Results indicate that additional contact-induced spin relaxation other than spin absorption dominates the contact effect. For tunneling contacts, we find reasonable agreement between the two models with median discrepancy of ∼20% for MgO and ∼10% for Al 2 O 3 .
    Electronic ISSN: 2166-532X
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  • 12
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    American Institute of Physics (AIP)
    Publication Date: 2016-10-11
    Description: Ex situ analyses on topological insulator films require protection against surface contamination during air exposure. This work reports on a technique that combines deposition of protective capping just after epitaxial growth and its mechanical removal inside ultra-high vacuum systems. This method was applied to Bi 2 Te 3 films with thickness varying from 8 to 170 nm. Contrarily to other methods, this technique does not require any sputtering or thermal annealing setups installed inside the analyzing system and preserves both film thickness and surface characteristics. These results suggest that the technique presented here can be expanded to other topological insulator materials.
    Electronic ISSN: 2166-532X
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  • 13
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    American Institute of Physics (AIP)
    Publication Date: 2016-10-18
    Description: Direct conversion between thermal and electrical energy can be achieved by thermoelectric materials, which provide a viable route for power generation and solid state refrigeration. Here, we use a combination of energetic, electronic, and vibrational first-principles based results to predict the figure of merit performance in hole doped single crystals of SnS and (Pb,Sn)S. We find high ZT values for both materials, specifically for (Pb,Sn)S along the b -axis. Both SnS and (Pb,Sn)S have excellent power factors when doped, due to a combination of increased electrical conductivity (due to doping) and a significantly enhanced Seebeck coefficient obtained by a doping-induced multiband effect. Anharmonic phonon calculations combined with a Debye-Calloway model show that the lattice thermal conductivity of both compounds is low, due to intrinsic anharmonicity, and is lowered further by the random, solid solution nature of the cation sublattice of (Pb,Sn)S. (Pb,Sn)S exhibits a high ZT plateau ranging from 1.3 at 300 K to 1.9 at 800 K. The overall ZT of the hole doped (Pb,Sn)S crystals is predicted to outperform most of the current state-of-the-art thermoelectric sulfide materials.
    Electronic ISSN: 2166-532X
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  • 14
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    American Institute of Physics (AIP)
    Publication Date: 2016-10-19
    Description: Double perovskite Bi 2 FeMnO 6 is a potential candidate for the single-phase multiferroic system. In this work, we study the magnetic, electronic, and optical properties in BFMO by performing the density functional theory calculations and experimental measurements of magnetic moment. We also demonstrate the strain dependence of magnetization. More importantly, our calculations of electronic and optical properties reveal that the onsite local correlation on Mn and Fe sites is critical to the gap opening in BFMO, which is a prerequisite condition for the ferroelectric ordering. Finally, we calculate the x-ray magnetic circular dichroism spectra of Fe and Mn ions (L 2 and L 3 edges) in BFMO.
    Electronic ISSN: 2166-532X
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  • 15
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    American Institute of Physics (AIP)
    Publication Date: 2016-10-29
    Description: Thermoelectric properties of nanostructured FeSi 2 , Mg 2 Si, and SiGe are compared with their nanocomposites of SiGe–Mg 2 Si and SiGe–FeSi 2 . It was found that the addition of silicide nanoinclusions to SiGe alloy maintained or increased the power factor while further reduced the thermal conductivity compared to the nanostructured single-phase SiGe alloy. This resulted in ZT enhancement of Si 0.88 Ge 0.12 –FeSi 2 by ∼30% over the broad temperature range of 500-950 °C compared to the conventional Si 0.80 Ge 0.20 alloy. The Si 0.88 Ge 0.12 –Mg 2 Si nanocomposite showed constantly increasing ZT versus temperature up to 950 °C (highest measured temperature) reaching ZT ∼ 1.3. These results confirm the concept of silicide nanoparticle-in-SiGe-alloy proposed earlier by Mingo et al. [Nano Lett. 9 , 711–715 (2009)].
    Electronic ISSN: 2166-532X
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  • 16
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    American Institute of Physics (AIP)
    Publication Date: 2016-11-01
    Description: The temperature dependence of the thermal conductivity of 27 different single crystal oxides is reported from ≈20 K to 350 K. These crystals have been selected among the most common substrates for growing epitaxial thin-film oxides, spanning over a range of lattice parameters from ≈3.7 Å to ≈12.5 Å. Different contributions to the phonon relaxation time are discussed on the basis of the Debye model. This work provides a database for the selection of appropriate substrates for thin-film growth according to their desired thermal properties, for applications in which heat management is important.
    Electronic ISSN: 2166-532X
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  • 17
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    American Institute of Physics (AIP)
    Publication Date: 2016-11-02
    Description: CdTe defect chemistry is adjusted by annealing samples with excess Cd or Te vapor with and without extrinsic dopants. We observe that Group I (Cu and Na) elements can increase hole density above 10 16 cm −3 , but compromise lifetime and stability. By post-deposition incorporation of a Group V dopant (P) in a Cd-rich ambient, lifetimes of 30 ns with 10 16 cm −3 hole density are achieved in single-crystal and polycrystalline CdTe without CdCl 2 or Cu. Furthermore, phosphorus doping appears to be thermally stable. This combination of long lifetime, high carrier concentration, and improved stability can help overcome historic barriers for CdTe solar cell development.
    Electronic ISSN: 2166-532X
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  • 18
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    American Institute of Physics (AIP)
    Publication Date: 2016-11-02
    Description: We report the first example of room-temperature rubber-like deformation in thin-film metallic glasses (TFMGs), 260-nm-thick Zr 60 Cu 24 Al 11 Ni 5 layers, under ultra-high shear strain. The TFMGs were deposited, with no external heating, on Zr-based bulk metallic glass (BMG) and Si(001) substrates by rf magnetron sputtering in a 3 mTorr Ar plasma. Cross-sectional transmission electron microscopy (XTEM) analyses and nanoindentation results reveal that the TFMGs undergo an incredibly large shear strain, estimated to be ∼4000%, during fatigue tests, and thickness reductions of up to 61.5%, with no shear-banding or cracking, during extreme nanoindentation experiments extending through the film and into the substrate. TFMG/BMG samples also exhibit film/substrate diffusion bonding during deformation as shown by high-resolution XTEM.
    Electronic ISSN: 2166-532X
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  • 19
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    American Institute of Physics (AIP)
    Publication Date: 2016-11-15
    Description: We investigate the electromechanical interactions in individual polyvinylidene fluoride-trifluoroethylene nanowires in response to localized electrical poling via a conducting atomic force microscope tip. Spatially resolved measurements of piezoelectric coefficients and elastic moduli before and after poling reveal a striking dependence on the polarity of the poling field, notably absent in thin films of the same composition. These observations are attributed to the unclamped nature of the nanowires and the inherent asymmetry in their chemical and electrical interactions with the tip and underlying substrate. Our findings provide insights into the mechanism of poling/switching in polymer nanowires critical to ferroelectric device performance.
    Electronic ISSN: 2166-532X
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  • 20
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-14
    Description: Normally we think of the glassy state as a single phase and therefore crystallization from chemically identical amorphous precursors should be identical. Here we show that the local structure of an amorphous precursor is distinct depending on the initial deposition conditions, resulting in significant differences in the final state material. Using grazing incidence total x-ray scattering, we have determined the local structure in amorphous thin films of vanadium oxide grown under different conditions using pulsed laser deposition (PLD). Here we show that the subsequent crystallization of films deposited using different initial PLD conditions result in the formation of different polymorphs of VO 2 . This suggests the possibility of controlling the formation of metastable polymorphs by tuning the initial amorphous structure to different formation pathways.
    Electronic ISSN: 2166-532X
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  • 21
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-16
    Description: We demonstrated epitaxial growth of GaN (0001) films on nearly lattice-matched Hf (0001) substrates by using a low-temperature (LT) epitaxial growth technique. High-temperature growth of GaN films results in the formation of polycrystalline films due to significant reaction at GaN/Hf heterointerfaces, while LT-growth allowed us to suppress the interfacial reactions and to obtain epitaxial GaN films on Hf substrates with a GaN 11 2 ̄ 0 / / Hf 11 2 ̄ 0 in-plane orientation. LT-grown GaN films can act as buffer layers for GaN growth at high temperatures. The interfacial layer thickness at the LT-GaN/Hf heterointerface was as small as 1 nm, and the sharpness of the contact remained unchanged even after annealing up to approximately 700 °C, which likely accounts for the dramatic improvement in GaN crystalline quality on Hf substrates.
    Electronic ISSN: 2166-532X
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  • 22
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-26
    Description: We report the in-plane thermoelectric properties of suspended (Bi 1− x Sb x ) 2 Te 3 nanoplates with x ranging from 0.07 to 0.95 and thicknesses ranging from 9 to 42 nm. The results presented here reveal a trend of increasing p -type behavior with increasing antimony concentration, and a maximum Seebeck coefficient and thermoelectric figure of merit at x ∼ 0.5. We additionally tuned extrinsic doping of the surface using a tetrafluoro-tetracyanoquinodimethane (F 4 -TCNQ) coating. The lattice thermal conductivity is found to be below that for undoped ultrathin Bi 2 Te 3 nanoplates of comparable thickness and in the range of 0.2–0.7 W m −1 K −1 at room temperature.
    Electronic ISSN: 2166-532X
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  • 23
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-02
    Description: In recent years, the interest in hybrid organic–inorganic perovskites has increased at a rapid pace due to their tremendous success in the field of thin film solar cells. This area closely ties together fundamental solid state research and device application, as it is necessary to understand the basic material properties to optimize the performances and open up new areas of application. In this regard, the energy levels and their respective alignment with adjacent charge transport layers play a crucial role. Currently, we are lacking a detailed understanding about the electronic structure and are struggling to understand what influences the alignment, how it varies, or how it can be intentionally modified. This research update aims at giving an overview over recent results regarding measurements of the electronic structure of hybrid perovskites using photoelectron spectroscopy to summarize the present status.
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  • 24
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-02
    Description: With molecular beam epitaxy we have grown Cr y (Bi x Sb 1-x ) 2-y Te 3 thin films with homogeneous distribution of Cr dopants and Curie temperature up to 77 K. The films with Cr concentration y ≥ 0.39 are found to be topologically trivial, highly insulating ferromagnets, whose conductivity can be tuned over two orders of magnitude by gate voltage. The ferromagnetic insulators with electrically tunable conductivity can be used to realize the quantum anomalous Hall effect at higher temperature in topological insulator heterostructures and to develop field effect devices for spintronic applications.
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  • 25
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-05
    Description: The electronic structure of Heusler alloys having mixed magnetic phases, comprising of vicinal anti-ferromagnetic and ferromagnetic orders, is of great significance. We present the results of an electronic structure study on Ni x Cu 1− x MnSb Heusler alloys, using Mn-2p core-level photoemission spectroscopy. Room temperature data in the paramagnetic phase reveal a non-monotonic variation of both electron correlation strength and conduction-band hybridization such that the former enhances while the latter weakens for compositions showing a mixed phase relative to compositions at the phase boundaries to the ordered phases. The results suggest a possible electronic driving force for settling mixed-magnetic phases.
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  • 26
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-26
    Description: We present an investigation of the thermoelectric properties of cubic perovskite SrTiO 3 . The results are derived from a combination of calculated transport functions obtained from Boltzmann transport theory in the constant scattering time approximation based on the electronic structure and existing experimental data for La-doped SrTiO 3 . The figure of merit ZT is modeled with respect to carrier concentration and temperature. The model predicts a relatively high ZT at optimized doping and suggests that the ZT value can reach 0.7 at T = 1400 K. Thus ZT can be improved from the current experimental values by carrier concentration optimization.
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  • 27
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-27
    Description: Synthesis of inorganic extended solids is a critical starting point from which real-world functional materials and their consequent technologies originate. However, unlike the rich mechanistic foundation of organic synthesis, with its underlying rules of assembly (e.g., functional groups and their reactivities), the synthesis of inorganic materials lacks an underpinning of such robust organizing principles. In the latter case, any such rules must account for the diversity of chemical species and bonding motifs inherent to inorganic materials and the potential impact of mass transport on kinetics, among other considerations. Without such assembly rules, there is less understanding, less predictive power, and ultimately less control of properties. Despite such hurdles, developing a mechanistic understanding for synthesis of inorganic extended solids would dramatically impact the range of new material discoveries and resulting new functionalities, warranting a broad call to explore what is possible. Here we discuss our recent approaches toward a mechanistic framework for the synthesis of bulk inorganic extended solids, in which either embryonic atomic correlations or fully developed phases in solutions or melts can be identified and tracked during product selection and crystallization. The approach hinges on the application of high-energy x-rays, with their penetrating power and large Q-range, to explore reaction pathways in situ . We illustrate this process using two examples: directed assembly of Zr clusters in aqueous solution and total phase awareness during crystallization from K–Cu–S melts. These examples provide a glimpse of what we see as a larger vision, in which large scale simulations, data-driven science, and in situ studies of atomic correlations combine to accelerate materials discovery and synthesis, based on the assembly of well-defined, prenucleated atomic correlations.
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  • 28
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-02
    Description: Bi 2 Te 3 -based compounds are a well-known class of outstanding thermoelectric materials. β-As 2 Te 3 , another member of this family, exhibits promising thermoelectric properties around 400 K when appropriately doped. Herein, we investigate the high-temperature thermoelectric properties of the β-As 2− x Bi x Te 3 solid solution. Powder X-ray diffraction and scanning electron microscopy experiments showed that a solid solution only exists up to x = 0.035. We found that substituting Bi for As has a beneficial influence on the thermopower, which, combined with extremely low thermal conductivity values, results in a maximum ZT value of 0.7 at 423 K for x = 0.017 perpendicular to the pressing direction.
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  • 29
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-18
    Description: Many important breakthroughs and significant engineering developments have been achieved during the past two decades in the field of caloric materials. In this review, we address ferroelectrics emerging as ideal materials which permit both giant elastocaloric and/or electrocaloric responses near room temperature. We summarize recent strategies for improving caloric responses using geometrical optimization, maximizing the number of coexisting phases, combining positive and negative caloric responses, introducing extra degree of freedom like mechanical stress/pressure, and multicaloric effect driven by either single stimulus or multiple stimuli. This review highlights the promising perspective of ferroelectrics for developing next-generation solid-state refrigeration.
    Electronic ISSN: 2166-532X
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  • 30
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-22
    Description: Thermoelectric modules based on half-Heusler compounds offer a cheap and clean way to create eco-friendly electrical energy from waste heat. Here we study the impact of the period composition on the electrical and thermal properties in non-symmetric superlattices, where the ratio of components varies according to (TiNiSn) n :(HfNiSn) 6−n , and 0 ⩽ n ⩽ 6 unit cells. The thermal conductivity ( κ ) showed a strong dependence on the material content achieving a minimum value for n = 3, whereas the highest value of the figure of merit ZT was achieved for n = 4. The measured κ can be well modeled using non-symmetric strain relaxation applied to the model of the series of thermal resistances.
    Electronic ISSN: 2166-532X
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  • 31
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-22
    Description: Materials’ design for high-performance thermoelectric oxides is discussed. Since chemical stability at high temperature in air is a considerable advantage in oxides, we evaluate thermoelectric power factor in the high temperature limit. We show that highly disordered materials can be good thermoelectric materials at high temperatures, and the effects of strong correlation can further enhance the figure of merit by adding thermopower arising from the spin and orbital degrees of freedom. We also discuss the Kelvin formula as a promising expression for strongly correlated materials and show that the calculation based on the Kelvin formula can be directly compared with the cross-layer thermopower of layered materials.
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  • 32
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-23
    Description: In this study, a series of copper sulfides Cu x S with x spanning from 1.8 to 1.96 was prepared and their crystal structures, elemental valence states, and thermoelectric properties were systematically studied. The valence state of Cu in Cu x S is unchanged as the ratio of Cu/S varies, while the thermoelectric properties are very sensitive to the deficiency of Cu. In addition, the type of sulfur arrangement in the crystal structure also plays an important role on the electrical transports. Finally, the optimum Cu/S atomic ratios in the binary Cu x S system were identified for high power factor and thermoelectric figure of merit.
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  • 33
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    Unknown
    American Institute of Physics (AIP)
    Publication Date: 2016-08-16
    Description: Composition-dependent charge transport and temperature-dependent density of state effective mass-dependent Seebeck coefficient were investigated in Bi 2− x Sb x Te 3 ( x = 1.56-1.68) compounds. The compounds were prepared by the spark plasma sintering of high-energy ball-milled powder. High-temperature Hall measurements revealed that the charge transport in the compounds was governed dominantly by phonon scattering and influenced additionally by alloy scattering depending on the amount of Sb. Contrary effects of Sb content on the Seebeck coefficient were discussed in terms of carrier concentration and density of state effective mass, and it was elucidated by temperature-normalized Pisarenko plot for the first time.
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  • 34
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-17
    Description: Hierarchical polymer fibers with long-range ordering have been straightforwardly fabricated employing a macroscale patterned mesh comprising microscale metallic filaments as a conductive collector, in an otherwise conventional electrospinning apparatus. Using electrostatic simulations, we elucidate that the patterning electric field is extremely confined to the immediate vicinity of the mesh collector surface. This lensing phenomenon is controlling the fiber patterning effect, and its strength decays with height above the patterned surface. Our study sheds new light on the physical mechanism underpinning electrospinning and offers a new approach for engineering fiber architectures where a precise control of in-plane physical properties is sought.
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  • 35
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-19
    Description: We have investigated the tunneling transport of mono- and few-layers of MnPS 3 by using conductive atomic force microscopy. Due to the band alignment of indium tin oxide/MnPS 3 /Pt-Ir tip junction, the key features of both Schottky junction and Fowler-Nordheim tunneling (FNT) were observed for all the samples with varying thickness. Using the FNT model and assuming the effective electron mass (0.5 m e ) of MnPS 3 , we estimate the tunneling barrier height to be 1.31 eV and the dielectric breakdown strength as 5.41 MV/cm.
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  • 36
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-24
    Description: We present a detailed study of the reaction kinetics and thermodynamics of the plasma-assisted oxide molecular beam epitaxy of the ternary compound (In x Ga 1− x ) 2 O 3 for 0 ≤ x ≤ 1. We measured the growth rate of the alloy in situ by laser reflectrometry as a function of growth temperature T G for different metal-to-oxygen flux ratios r Me , and nominal In concentrations x nom in the metal flux. We determined ex situ the In and Ga concentrations in the grown film by energy dispersive X-ray spectroscopy. The measured In concentration x shows a strong dependence on the growth parameters T G , r Me , and x nom whereas growth on different co-loaded substrates shows that in the macroscopic regime of ∼ μ m 3 x does neither depend on the detailed layer crystallinity nor on crystal orientation. The data unveil that, in presence of In, Ga incorporation is kinetically limited by Ga 2 O desorption the same way as during Ga 2 O 3 growth. In contrast, In incorporation during ternary growth is thermodynamically suppressed by the presence of Ga due to stronger Ga–O bonds. Our experiments revealed that Ga adatoms decompose/etch the In–O bonds whereas In adatoms do not decompose/etch the Ga–O bonds. This result is supported by our thermochemical calculations. In addition we found that a low T G and/or excessively low r Me kinetically enables In incorporation into (In x Ga 1− x ) 2 O 3 . This study may help growing high-quality ternary compounds (In x Ga 1− x ) 2 O 3 allowing band gap engineering over the range of 2.7–4.7 eV.
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  • 37
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-24
    Description: Sputter deposition is a widely used growth technique for a large range of important material systems. Epitaxial films of carbides, nitrides, metals, oxides and more can all be formed during the sputter process which offers the ability to deposit smooth and uniform films from the research level up to an industrial scale. This tunable kinematic deposition process excels in easily adapting for a large range of environments and growth procedures. Despite the vast advantages, there is a significant lack of in situ analysis options during sputtering. In particular, the area of real time atomic layer control is severely deficient. Atomic layer controlled growth of epitaxial thin films and artificially layered superlattices is critical for both understanding their emergent phenomena and engineering novel material systems and devices. Reflection high-energy electron diffraction (RHEED) is one of the most common in situ analysis techniques during thin film deposition that is rarely used during sputtering due to the effect of the strong permanent magnets in magnetron sputter sources on the RHEED electron beam. In this work we have solved this problem and designed a novel way to deter the effect of the magnets for a wide range of growth geometries and demonstrate the ability for the first time to have layer-by-layer control during sputter deposition by in situ RHEED.
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  • 38
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-24
    Description: Nanostructured Mn 3 Ge ribbons with a composition ranging from 77 to 74 at.% Mn were prepared using induction melting, melt-spinning, and subsequent heat treatment. The hard magnetic properties of the ribbons originate from the highly anisotropic tetragonal D 0 22 structure of Mn 3 Ge. Depending on the composition and the amount of ferrimagnetic Mn 5 Ge 2 as a secondary phase, a coercivity of up to μ 0 H C = 2.62 T was obtained for the Mn 3 Ge ribbons. Microstructure investigations by transmission electron microscopy confirmed the formation of the secondary phase. All samples show isotropic coercive fields, i.e., independent of the direction of the applied magnetic field in contrast to already known epitaxial thin films. The Curie temperature was found to be higher than 800 K, which is the temperature of the phase transition from the tetragonal D 0 22 structure to the hexagonal D 0 19 structure.
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  • 39
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-30
    Description: Self-organized AlGaN nanowires by molecular beam epitaxy have attracted significant attention for deep ultraviolet optoelectronics. However, due to the strong compositional modulations under conventional nitrogen rich growth conditions, emission wavelengths less than 250 nm have remained inaccessible. Here we show that Al-rich AlGaN nanowires with much improved compositional uniformity can be achieved in a new growth paradigm, wherein a precise control on the optical bandgap of ternary AlGaN nanowires can be achieved by varying the substrate temperature. AlGaN nanowire LEDs, with emission wavelengths spanning from 236 to 280 nm, are also demonstrated.
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  • 40
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-30
    Description: In the quest for more efficient thermoelectric material able to convert thermal to electrical energy and vice versa, composites that combine a semiconductor host having a large Seebeck coefficient with metal nanodomains that provide phonon scattering and free charge carriers are particularly appealing. Here, we present our experimental results on the thermal and electrical transport properties of PbS-metal composites produced by a versatile particle blending procedure, and where the metal work function allows injecting electrons to the intrinsic PbS host. We compare the thermoelectric performance of composites with microcrystalline or nanocrystalline structures. The electrical conductivity of the microcrystalline host can be increased several orders of magnitude with the metal inclusion, while relatively high Seebeck coefficient can be simultaneously conserved. On the other hand, in nanostructured materials, the host crystallites are not able to sustain a band bending at its interface with the metal, becoming flooded with electrons. This translates into even higher electrical conductivities than the microcrystalline material, but at the expense of lower Seebeck coefficient values.
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  • 41
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-30
    Description: In this letter, we report on the structural and transport measurements of ultrathin MgB 2 films grown by hybrid physical-chemical vapor deposition followed by low incident angle Ar ion milling. The ultrathin films as thin as 1.8 nm, or 6 unit cells, exhibit excellent superconducting properties such as high critical temperature ( T c ) and high critical current density ( J c ). The results show the great potential of these ultrathin films for superconducting devices and present a possibility to explore superconductivity in MgB 2 at the 2D limit.
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  • 42
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-02
    Description: The Co-Pt nanochessboard is a quasi-periodic, nanocomposite tiling of L1 0 and L1 2 magnetic phases that offers a novel structure for the investigation of exchange coupling, relevant to permanent magnet applications. Periodicity of the tiling is controlled by the rate of cooling through the eutectoid isotherm, resulting in control over the L1 0 -L1 2 exchange coupling. First order reversal curve analysis reveals a transition from partial coupling to nearly complete exchange-coupling in a Co 40.2 Pt 59.8 nanochessboard structured alloy as the periodicity is reduced below the critical correlation length. Micromagnetic simulations give insights into how exchange coupling manifests in the tiling, and its impact on microscopic magnetization reversal mechanisms.
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  • 43
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-02
    Description: In this paper, an electrocaloric (EC) cooler prototype made of 150 ceramic-based Multi-Layer Capacitors (MLCs) has been detailed. This cooler involves a column of dielectric fluid where heat exchange with the MLCs takes place. The maximum variation of temperature in the fluid column due to the EC effect reaches 0.13 K whereas the heat exchanged during one stroke is 0.28 J. Although this prototype requires improvements with respect to heat exchange, the basic principle of creating a temperature gradient in a column of fluid has been validated.
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  • 44
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-07
    Description: Perovskite solar cells (PSCs) marked tremendous progress in a short period of time and offer bright hopes for cheap solar electricity. Despite high power conversion efficiency 〉20%, its poor operational stability as well as involvement of toxic, volatile, and less-abundant materials hinders its practical deployment. The fact that degradation and toxicity are typically observed in the most successful perovskite involving organic cation and toxic lead, i.e., CH 3 NH 3 PbX 3 , requires a deep understanding of their role in photovoltaic performance in order to envisage if a non-toxic, stable yet highly efficient device is feasible. Towards this, we first provide an overview of the basic chemistry and physics of halide perovskites and its correlation with its extraordinary properties such as crystal structure, bandgap, ferroelectricity, and electronic transport. We then discuss device related aspects such as the various device designs in PSCs and role of interfaces in origin of PV parameters particularly open circuit voltage, various film processing methods and their effect on morphology and characteristics of perovskite films, and the origin and elimination of hysteresis and operational stability in these devices. We then identify future perspectives for stable and efficient PSCs for practical deployment.
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  • 45
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-17
    Description: Hybrid lead-halide perovskites have emerged as promising solution-processed semiconductor materials for thin-film optoelectronics. In this review, we discuss current challenges in perovskite LED performance, using thin-film and nano-crystalline perovskite as emitter layers, and look at device performance and stability. Fabrication of electrically pumped, optical-feedback devices with hybrid lead halide perovskites as gain medium is a future challenge, initiated by the demonstration of optically pumped lasing structures with low gain thresholds. We explain the material parameters affecting optical gain in perovskites and discuss the challenges towards electrically pumped perovskite lasers.
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  • 46
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-20
    Description: We use calorimetry to identify pressure-driven isothermal entropy changes in ceramic samples of the prototypical ferroelectric BaTiO 3 . Near the structural phase transitions at ∼400 K (cubic-tetragonal) and ∼280 K (tetragonal-orthorhombic), the inverse barocaloric response differs in sign and magnitude from the corresponding conventional electrocaloric response. The differences in sign arise due to the decrease in unit-cell volume on heating through the transitions, whereas the differences in magnitude arise due to the large volumetric thermal expansion on either side of the transitions.
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  • 47
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-20
    Description: Nanocrystalline silicon thermoelectrics can be a solution to improve the cost-effectiveness of thermoelectric technology from both material and integration viewpoints. While their figure-of-merit is still developing, recent advances in theoretical/numerical calculations, property measurements, and structural synthesis/fabrication have opened up possibilities to develop the materials based on fundamental physics of phonon transport. Here, this is demonstrated by reviewing a series of works on nanocrystalline silicon materials using calculations of multiscale phonon transport, measurements of interfacial heat conduction, and synthesis from nanoparticles. Integration of these approaches allows us to engineer phonon transport to improve the thermoelectric performance by introducing local silicon-oxide structures.
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  • 48
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-20
    Description: To bring perovskite solar cells to the industrial world, performance must be maintained at the photovoltaic module scale. Here we present large-area manufacturing and processing options applicable to large-area cells and modules. Printing and coating techniques, such as blade coating, slot-die coating, spray coating, screen printing, inkjet printing, and gravure printing (as alternatives to spin coating), as well as vacuum or vapor based deposition and laser patterning techniques are being developed for an effective scale-up of the technology. The latter also enables the manufacture of solar modules on flexible substrates, an option beneficial for many applications and for roll-to-roll production.
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  • 49
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-21
    Description: With the rapid progress in deposition techniques for hybrid organic-inorganic perovskite (HOIP) thin films, this new class of photovoltaic (PV) technology has achieved material quality and power conversion efficiency comparable to those established technologies. Among the various techniques for HOIP thin films preparation, vapor based deposition technique is considered as a promising alternative process to substitute solution spin-coating method for large-area or scale-up preparation. This technique provides some unique benefits for high-quality perovskite crystallization, which are discussed in this research update.
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  • 50
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-21
    Description: We report the significant increase in the electrical conductivity, by five orders of magnitude, of Re-doped β -MoO 3 epitaxial films grown using reactive DC magnetron sputtering. Re atoms were successfully incorporated into the films by using Mo-Re alloy targets, although the film compositions deviated significantly from those of the targets. Pristine β -MoO 3 exhibited a conductivity below 10 −7 S/cm, whereas β -Mo 0.982 Re 0.018 O 3 exhibited a conductivity of 1.2 × 10 −2 S/cm and a high optical transmittance of 67% (average) in the visible region. Furthermore, transparent conducting properties were reproduced in a polycrystalline film grown on a glass substrate, indicating the high potential of these films for use as transparent conductors.
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  • 51
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    American Institute of Physics (AIP)
    Publication Date: 2016-10-08
    Description: Metal nanoparticle-semiconductor interfaces are sites of complex light-matter interactions, in particular, the exciton-plasmon coupling which plays a key role in the optical response of such heterostructures. There exists a pathway of photoinduced charge transfer from the semiconductor to the metal, which can be used to controllably vary the driving forces at the interface that leads to tunable optoelectronic properties. In this letter, we report the observation of a dramatic suppression of plasmonic as well as excitonic absorption in a-Ge 24 Se 76 /gold nanoparticle heterostructures by trapped charges. Suppression of the excitonic absorption is strongly correlated with the plasmon wavelength.
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  • 52
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    American Institute of Physics (AIP)
    Publication Date: 2016-10-08
    Description: The elastocaloric effect in a columnar-grained Cu 71.5 Al 17.5 Mn 11 shape memory alloy fabricated by directional solidification was investigated. A large entropy change of 25.0 J/kg K generated by the reversible martensitic transformation was demonstrated. The adiabatic temperature change of 12-13 K was directly measured, covering a wide temperature range of more than 100 K. The low applied stress with a specific elastocaloric ability of 100.8 K/GPa was identified and the potentially attainable operational temperature window as wide as more than 215 K was also discussed. The outstanding elastocaloric refrigeration capability, together with the low applying stress and uniform phase transformation, makes the columnar-grained Cu–Al–Mn shape memory alloy a promising material for solid-state refrigeration.
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  • 53
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-19
    Description: Strong exchange bias (EB) in perpendicular direction has been demonstrated in vertically aligned nanocomposite (VAN) (La 0.7 Sr 0.3 MnO 3 ) 1−x : (LaFeO 3 ) x (LSMO:LFO, x = 0.33, 0.5, 0.67) thin films deposited by pulsed laser deposition. Under a moderate magnetic field cooling, an EB field as high as ∼800 Oe is achieved in the VAN film with x = 0.33, suggesting a great potential for its applications in high density memory devices. Such enhanced EB effects in perpendicular direction can be attributed to the high quality epitaxial co-growth of vertically aligned ferromagnetic LSMO and antiferromagnetic LFO phases, and the vertical interface coupling associated with a disordered spin-glass state. The VAN design paves a powerful way for integrating perpendicular EB effect within thin films and provides a new dimension for advanced spintronic devices.
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  • 54
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-19
    Description: An attempt was made to tailor the magnetostructural transitions over a wide temperature range under the principle of isostructural alloying. A series of wide Curie-temperature windows (CTWs) with a maximal width of 377 K between 69 and 446 K were established in the Mn 1− y Co y NiGe 1− x Si x system. Throughout the CTWs, the magnetic-field-induced metamagnetic behavior and giant magnetocaloric effects are obtained. The (Mn,Co)Ni(Ge,Si) system shows great potential as multifunctional phase-transition materials that work in a wide range covering liquid-nitrogen and above water-boiling temperatures. Moreover, general understanding of isostructural alloying and CTWs constructed in (Mn,Co)Ni(Ge,Si) as well as (Mn,Fe)Ni(Ge,Si) is provided.
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  • 55
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-23
    Description: Alloying in the system Cu 2 ZnSnSe 4 –CuInSe 2 –ZnSe (CZTISe) is investigated experimentally and theoretically. The goal is to distinguish single-phase and multi-phase regions within the Cu 2 ZnSnSe 4 -2CuInSe 2 -4ZnSe pseudo-ternary phase diagram. CZTISe thin films are prepared by co-evaporation of the chemical elements and are investigated in real-time during growth using in situ angle dispersive X-ray diffraction. The focus is mainly on thin films along the Cu 2 ZnSnSe 4 –2CuInSe 2 isopleth with small ZnSe addition as well as on films along the Cu 2 ZnSnSe 4 -4ZnSe isopleth with small CuInSe 2 addition. For both cases, ab initio calculations with density-functional theory are performed to estimate the stability of the alloy with respect to the formation of secondary phases. Both in experiment and calculation, we find a surprisingly large single-phase region in the Cu 2 ZnSnSe 4 corner of the pseudo-ternary phase diagram slightly off the Cu 2 ZnSnSe 4 -4ZnSe isopleth. This may help avoiding secondary phase formation under Zn-rich conditions and open up new possibilities for the application of CZTISe thin films in solar cells.
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  • 56
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-06
    Description: We have grown Mg-doped GaN films with low residual hydrogen concentration using a low-temperature pulsed sputtering deposition (PSD) process. The growth system is inherently hydrogen-free, allowing us to obtain high-purity Mg-doped GaN films with residual hydrogen concentrations below 5 × 10 16 cm −3 , which is the detection limit of secondary ion mass spectroscopy. In the Mg profile, no memory effect or serious dopant diffusion was detected. The as-deposited Mg-doped GaN films showed clear p-type conductivity at room temperature (RT) without thermal activation. The GaN film doped with a low concentration of Mg (7.9 × 10 17 cm −3 ) deposited by PSD showed hole mobilities of 34 and 62 cm 2 V −1 s −1 at RT and 175 K, respectively, which are as high as those of films grown by a state-of-the-art metal-organic chemical vapor deposition apparatus. These results indicate that PSD is a powerful tool for the fabrication of GaN-based vertical power devices.
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  • 57
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-09
    Description: Sputter deposition, while varying the substrate temperature, is employed to isochemically control the structural state and concomitant mechanical response in a Pd-based metallic glass at the time of glass formation. Increasing the deposition temperature from 333 K to 461 K results in a 33.5% increase in hardness to 9.69 GPa for amorphous films. Further increasing the temperature leads to a decrease in hardness, indicating low and high temperature deposition regimes where increased surface mobility allows access to a more relaxed and more rejuvenated structure, respectively. Through this mechanism we access the range of achievable structural states, from ultrastable to highly liquid-like glasses.
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  • 58
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-16
    Description: We demonstrate crack-free ZnO/GaN distributed Bragg reflectors (DBRs) grown by hybrid plasma-assisted molecular beam epitaxy using the same growth chamber for continuous growth of both ZnO and GaN without exposure to air. This is the first time these ZnO/GaN DBRs have been demonstrated. The Bragg reflectors consisted up to 20 periods as shown with cross-sectional transmission electron microscopy. The maximum achieved reflectance was 77% with a 32 nm wide stopband centered at 500 nm. Growth along both (0001) and (000 1 ̄ ) directions was investigated. Low-temperature growth as well as two-step low/high-temperature deposition was carried out where the latter method improved the DBR reflectance. Samples grown along the (0001) direction yielded a better surface morphology as revealed by scanning electron microscopy and atomic force microscopy. Reciprocal space maps showed that ZnO(000 1 ̄ )/GaN reflectors are relaxed whereas the ZnO(0001)/GaN DBRs are strained. The ability to n-type dope ZnO and GaN makes the ZnO(0001)/GaN DBRs interesting for various optoelectronic cavity structures.
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  • 59
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-20
    Description: Lead halide perovskite solar cells have shown a tremendous rise in power conversion efficiency with reported record efficiencies of over 20% making this material very promising as a low cost alternative to conventional inorganic solar cells. However, due to a differently severe “hysteretic” behaviour during current density-voltage measurements, which strongly depends on scan rate, device and measurement history, preparation method, device architecture, etc., commonly used solar cell measurements do not give reliable or even reproducible results. For the aspect of commercialization and the possibility to compare results of different devices among different laboratories, it is necessary to establish a measurement protocol which gives reproducible results. Therefore, we compare device characteristics derived from standard current density-voltage measurements with stabilized values obtained from an adaptive tracking of the maximum power point and the open circuit voltage as well as characteristics extracted from time resolved current density-voltage measurements. Our results provide insight into the challenges of a correct determination of device performance and propose a measurement protocol for a reliable characterisation which is easy to implement and has been tested on varying perovskite solar cells fabricated in different laboratories.
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  • 60
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-20
    Description: We report on synthesis and characterization of a new magnetic nanolaminate (V,Mn) 3 GaC 2 , which is the first magnetic MAX phase of a 312 stoichiometry. Atomically resolved energy dispersive X-ray mapping of epitaxial thin films reveals a tendency of alternate chemical ordering between V and Mn, with atomic layers composed of primarily one element only. Magnetometry measurements reveal a ferromagnetic response between 50 K and 300 K, with indication of a magnetic ordering temperature well above room temperature.
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  • 61
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-23
    Description: We have developed a method to detect the presence of small amounts of chemical substances in water, using a Al 2 O 3 nanoparticle thin film covered with phosphonic acid (HDF-PA) self-assembled monolayer. The HDF-PA self-assembled Al 2 O 3 nanoparticle thin film acts as a liquid-vapour separation filter, allowing the passage of chemical vapour while blocking liquids. Prevention of the liquid from contacting the SnO 2 nanowire and source-drain electrodes is required in order to avoid abnormal operation. Using this characteristic, the concentration of chemical substances in water could be evaluated by measuring the current changes in the SnO 2 nanowire transistor covered with the HDF-PA self-assembled Al 2 O 3 nanoparticle thin film.
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  • 62
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-23
    Description: Pb 0.9 La 0.1 (Zr 0.52 Ti 0.48 )O 3 (PLZT) relaxor-ferroelectric thin films were grown on SrRuO 3 /SrTiO 3 /Si substrates by pulsed laser deposition. A large recoverable storage density ( U reco ) of 13.7 J/cm 3 together with a high energy efficiency ( η ) of 88.2% under an applied electric field of 1000 kV/cm and at 1 kHz frequency was obtained in 300-nm-thick epitaxial PLZT thin films. These high values are due to the slim and asymmetric hysteresis loop when compared to the values in the reference undoped epitaxial lead zirconate titanate Pb(Zr 0.52 Ti 0.48 )O 3 ferroelectric thin films ( U reco = 9.2 J/cm 3 and η = 56.4%) which have a high remanent polarization and a small shift in the hysteresis loop, under the same electric field.
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  • 63
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-26
    Description: The power-conversion efficiency of perovskite solar cells has soared up to 22.1% earlier this year. Within merely five years, the perovskite solar cell can now compete on efficiency with inorganic thin-film technologies, making it the most promising of the new, emerging photovoltaic solar cell technologies. The next grand challenge is now the aspect of stability. The hydrophilicity and volatility of the organic methylammonium makes the work-horse material methylammonium lead iodide vulnerable to degradation through humidity and heat. Additionally, ultraviolet radiation and oxygen constitute stressors which can deteriorate the device performance. There are two fundamental strategies to increasing the device stability: developing protective layers around the vulnerable perovskite absorber and developing a more resilient perovskite absorber. The most important reports in literature are summarized and analyzed here, letting us conclude that any long-term stability, on par with that of inorganic thin-film technologies, is only possible with a more resilient perovskite incorporated in a highly protective device design.
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  • 64
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-16
    Description: Polymer nanocomposites are a designer class of materials where nanoscale particles, functional chemistry, and polymer resin combine to provide materials with unprecedented combinations of physical properties. In this paper, we introduce NanoMine, a data-driven web-based platform for analysis and design of polymer nanocomposite systems under the material genome concept. This open data resource strives to curate experimental and computational data on nanocomposite processing, structure, and properties, as well as to provide analysis and modeling tools that leverage curated data for material property prediction and design. With a continuously expanding dataset and toolkit, NanoMine encourages community feedback and input to construct a sustainable infrastructure that benefits nanocomposite material research and development.
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  • 65
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-16
    Description: Soft matter embodies a wide range of materials, which all share the common characteristics of weak interaction energies determining their supramolecular structure. This complicates structure-property predictions and hampers the direct application of data-driven approaches to their modeling. We present several aspects in which these methods play a role in designing soft-matter materials: drug design as well as information-driven computer simulations, e.g., histogram reweighting. We also discuss recent examples of rational design of soft-matter materials fostered by physical insight and assisted by data-driven approaches. We foresee the combination of data-driven and physical approaches a promising strategy to move the field forward.
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  • 66
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-16
    Description: Organic-inorganic halide perovskites, especially methylammonium lead halide, have recently led to remarkable advances in photovoltaic devices. However, due to environmental and stability concerns around the use of lead, research into lead-free perovskite structures has been attracting increasing attention. In this study, a layered perovskite-like architecture, (NH 4 ) 3 Bi 2 I 9 , is prepared from solution and the structure solved by single crystal X-ray diffraction. The band gap, which is estimated to be 2.04 eV using UV-visible spectroscopy, is lower than that of CH 3 NH 3 PbBr 3 . The energy-minimized structure obtained from first principles calculations is in excellent agreement with the X-ray results and establishes the locations of the hydrogen atoms. The calculations also point to a significant lone pair effect on the bismuth ion. Single crystal and powder conductivity measurements are performed to examine the potential application of (NH 4 ) 3 Bi 2 I 9 as an alternative to the lead containing perovskites.
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  • 67
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-19
    Description: Thin films of homogeneous mixture of amorphous silicon and aluminum were produced with magnetron sputtering using 2-phase Al–Si targets. The films exhibited variable compositions, with and without the presence of hydrogen, aSi 1− x Al x and aSi 1− x Al x H y . The structure and optical properties of the films were investigated using transmission electron microscopy, X-ray photoelectron spectroscopy, UV-Vis NIR spectrometry, ellipsometry, and atomistic modeling. We studied the effect of alloying aSi with Al (within the range 0–25 at. %) on the optical band gap, refractive index, transmission, and absorption. Alloying aSi with Al resulted in a non-transparent film with a low band gap ( 1 eV. Variations of the Al and hydrogen content allowed for tuning of the optoelectronic properties. The films are stable up to a temperature of 300 °C. At this temperature, we observed Al induced crystallization of the amorphous silicon and the presence of large Al particles in a crystalline Si matrix.
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  • 68
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-25
    Description: Materials innovations enable new technological capabilities and drive major societal advancements but have historically required long and costly development cycles. The Materials Genome Initiative (MGI) aims to greatly reduce this time and cost. In this paper, we focus on data reuse in the MGI and, in particular, discuss the impact of three different computational databases based on density functional theory methods to the research community. We also discuss and provide recommendations on technical aspects of data reuse, outline remaining fundamental challenges, and present an outlook on the future of MGI’s vision of data sharing.
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  • 69
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-01
    Description: The dynamics of a magnetic domain wall (DW) under a transverse magnetic field H y are investigated in two-dimensional (2D) Co/Ni microstrips, where an interfacial Dzyaloshinskii-Moriya interaction (DMI) exists with DMI vector D lying in + y direction. The DW velocity exhibits asymmetric behavior for ± H y ; that is, the DW velocity becomes faster when H y is applied antiparallel to D . The key experimental results are reproduced in a 2D micromagnetic simulation, which reveals that the interfacial DMI suppresses the periodic change of the average DW angle φ even above the Walker breakdown and that H y changes φ , resulting in a velocity asymmetry. This suggests that the 2D DW motion, despite its microscopic complexity, simply depends on the average angle of the DW and thus can be described using a one-dimensional soliton model. These findings provide insight into the magnetic DW dynamics in 2D systems, which are important for emerging spin-orbitronic applications.
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  • 70
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-08
    Description: A key element of materials discovery and design is to learn from available data and prior knowledge to guide the next experiments or calculations in order to focus in on materials with targeted properties. We suggest that the tight coupling and feedback between experiments, theory and informatics demands a codesign approach, very reminiscent of computational codesign involving software and hardware in computer science. This requires dealing with a constrained optimization problem in which uncertainties are used to adaptively explore and exploit the predictions of a surrogate model to search the vast high dimensional space where the desired material may be found.
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  • 71
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-08
    Description: The underlying mechanism behind the blue/red color-switchable luminescence in the C 8 carbon quantum dots (CQDs)/organic hybrid light-emitting devices (LEDs) is investigated. The study shows that the increasing bias alters the energy-level spatial distribution and reduces the carrier potential barrier at the CQDs/organic layer interface, resulting in transition of the carrier transport mechanism from quantum tunneling to direct injection. This causes spatial shift of carrier recombination from the organic layer to the CQDs layer with resultant transition of electroluminescence from blue to red. By contrast, the pure CQDs-based LED exhibits green–red electroluminescence stemming from recombination of injected carriers in the CQDs.
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  • 72
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-08
    Description: Metal organic chemical vapor deposition of GaAs on standard nominal 300 mm Si(001) wafers was studied. Antiphase boundary (APB) free epitaxial GaAs films as thin as 150 nm were obtained. The APB-free films exhibit an improvement of the room temperature photoluminescence signal with an increase of the intensity of almost a factor 2.5. Hall effect measurements show an electron mobility enhancement from 200 to 2000 cm 2 /V s. The GaAs layers directly grown on industrial platform with no APBs are perfect candidates for being integrated as active layers for nanoelectronic as well as optoelectronic devices in a CMOS environment.
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  • 73
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-08
    Description: Mn 0.05 Ge 0.95 quantum dots (QDs) samples were grown by molecular beam epitaxy on Si substrates and 15-nm-thick fully strained Si 0.8 Ge 0.2 virtual substrates, respectively. The QDs samples grown on the Si 0.8 Ge 0.2 virtual substrates show a significant ferromagnetism with a Curie temperature of 227 K, while the QDs samples grown on the Si substrates are non-ferromagnetic. Microstructures of the QDs samples were characterized by high resolution transmission electron microscopy and synchrotron radiation X-ray diffraction. Interdependence between microstructure and ferromagnetism of Mn-doped Ge QDs was investigated. For the QDs sample grown on the strained Si 0.8 Ge 0.2 virtual substrate, although the ferromagnetic phase Mn 5 Ge 3 clusters were found to be formed in small dome-shaped dots, the significant ferromagnetism observed in that sample is attributed to ferromagnetic phase Mn-doped large dome-shaped Ge QDs, rather than to the ferromagnetic phase Mn 5 Ge 3 clusters. The fully strained Si 0.8 Ge 0.2 virtual substrates would result in a residual strain into the QDs and an increase in Ge composition in the QDs. Both consequences favor the formations of ferromagnetic phase Mn-doped Ge QDs from points of view of quantum confinement effect as well as Mn doping at substitutional sites.
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  • 74
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-15
    Description: We report the magnetic and optical properties of CuCr 2 O 4 thin films fabricated by atomic layer deposition (ALD) from Cu(thd) 2 , Cr(acac) 3 , and ozone; we deposit 200 nm thick films and anneal them at 700 °C in oxygen atmosphere to crystallize the spinel phase. A ferrimagnetic transition at 140 K and a direct bandgap of 1.36 eV are determined for the films from magnetic and UV-vis spectrophotometric measurements. Electrical transport measurements confirm the p-type semiconducting behavior of the films. As the ALD technique allows the deposition of conformal pin-hole-free coatings on complex 3D surfaces, our CuCr 2 O 4 films are interesting material candidates for various frontier applications.
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  • 75
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-21
    Description: In this paper, intrinsic and extrinsic factors dependent switching process in P(VDF-TrFE) thin films is investigated through time domain polarization measurements. The thinning-induced increase of switching time is observed for samples below 80 nm due to the surface oxide layer. For thinner samples the switchable polarization decreases with decreasing temperature since domain pinning prevails. Switching is faster using metal electrode with higher work function, which can be attributed to the lower depolarization field. Furthermore, the switching time increases with increasing the waiting time and increasing the pulse width of the prepolarization pulse caused by imprint effect.
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  • 76
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-12
    Description: The process of taking a new material from invention to deployment can take 20 years or more. Since the announcement of the Materials Genome Initiative in 2011, new attention has been paid to accelerating this timeframe to address key challenges in industries from energy, to biomedical materials, to catalysis, to polymers, particularly in the development of new materials discovery techniques. Materials informatics, or algorithmically analyzing materials data at scale to gain novel insight, has been lauded as a path forward in this regard. An equal challenge to discovery, however, is the acceleration from discovery to market. In this paper, we address application of an informatics approach to materials selection, manufacturing, and qualification and identify key opportunities and challenges in each of these areas with a focus on reducing time to market for new advanced materials technologies.
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  • 77
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-14
    Description: Materials informatics owes much to bioinformatics and the Materials Genome Initiative has been inspired by the Human Genome Project. But there is more to bioinformatics than genomes, and the same is true for materials informatics. Here we describe the rapidly expanding role of searching for structures of materials using first-principles electronic-structure methods. Structure searching has played an important part in unraveling structures of dense hydrogen and in identifying the record-high-temperature superconducting component in hydrogen sulfide at high pressures. We suggest that first-principles structure searching has already demonstrated its ability to determine structures of a wide range of materials and that it will play a central and increasing part in materials discovery and design.
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  • 78
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-14
    Description: The tailoring of molecular weight distribution and the functional group density of vinyl-terminated polydimethylsiloxane (PDMS) by molecular beam deposition is demonstrated herein. Thermally evaporated PDMS and its residue are characterized using gel permeation chromatography and nuclear magnetic resonance. Thermal fragmentation of vinyl groups occurs for evaporation temperatures above 487 K (214 °C). At a background pressure of 10 −6 mbar, the maximum molecular weight distribution is adjusted from (700 ± 100) g/mol to (6100 ± 100) g/mol with a polydispersity index of 1.06 ± 0.02. The content of vinyl-termination per repeating unit of PDMS is tailored from (2.8 ± 0.2)% to (5.6 ± 0.1)%. Molecular weights of vinyl-terminated PDMS evaporated at temperatures above 388 K (115 °C) correspond to those attributed to trimethyl-terminated PDMS. Side groups of linear PDMS dominate intermolecular interactions and vapor pressure.
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  • 79
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-14
    Description: Structural and optical properties of InGaAs quantum well fins (QWFs) selectively grown on Si using the aspect ratio trapping (ART) method in 200 nm deep SiO 2 trenches are studied. A new method combining cathodoluminescence, transmission electron microscopy, and precession electron diffraction techniques is developed to spatially correlate the presence of defects and/or strain with the light emission properties of a single InGaAs QWF. Luminescence losses and energy shifts observed at the nanoscale along InGaAs QWF are correlated with structural defects. We show that strain distortions measured around threading dislocations delimit both high and low luminescent areas. We also show that trapped dislocations on SiO 2 sidewalls can also result in additional distortions. Both behaviors affect optical properties of QWF at the nanoscale. Our study highlights the need to improve the ART growth method to allow integration of new efficient III-V optoelectronic components on Si.
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  • 80
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-17
    Description: In this contribution, we demonstrate the optimization of the microstructures of the Pb 0.85 La 0.1 (Zr 0.65 Ti 0.35 )O 3 (PLZT) relaxor ferroelectric ceramics and subsequent enhancements in their polarization and electrical resistivity by using a hot-pressing process. The resulting superior breakdown strength of hot-pressed PLZT enables the application of high electric field to induce a giant electrocaloric effect, in which the adiabatic change of temperature (Δ T ) and the isothermal change of entropy (Δ S ) are around 2 times greater than those of the samples prepared by the conventional sintering approach using muffle furnace. Moreover, the addition of extra PbO to make up the loss of Pb in the high-temperature sintering leads to the further improvements in the phase composition and electrical properties of PLZT, due to inhibition of the pyrochlore phase formation. The relationship among the sintering conditions, the content of excess PbO, and the microstructure as well as the electrical characteristics of PLZT have been investigated in a systematic manner. This work provides a facile approach to enhanced electrocaloric effect in bulk ceramics.
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  • 81
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-18
    Description: The influence of growth temperature on the surface morphology and luminescence properties of Eu-doped GaN layers grown by organometallic vapor phase epitaxy was investigated. By using a Eu source that does not contain oxygen in its molecular structure, and varying the growth temperature, the local defect environment around the Eu 3+ ions was manipulated, yielding a higher emission intensity from the Eu 3+ ions and a smoother sample surface. The optimal growth temperature was determined to be 960 °C and was used to fabricate a GaN-based red light-emitting diode with a significantly higher output power.
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  • 82
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    American Institute of Physics (AIP)
    Publication Date: 2016-01-05
    Description: We report an in situ microbeam grazing incidence X-ray scattering study of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C 8 -BTBT) organic semiconductor thin film deposition by hollow pen writing. Multiple transient phases are observed during the crystallization for substrate temperatures up to ≈93 °C. The layered smectic liquid-crystalline phase of C 8 -BTBT initially forms and preceedes inter-layer ordering, followed by a transient crystalline phase for temperature 〉60 °C, and ultimately the stable phase. Based on these results, we demonstrate a method to produce extremely large grain size and high carrier mobility during high-speed processing. For high writing speed (25 mm/s), mobility up to 3.0 cm 2 /V-s has been observed.
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  • 83
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    American Institute of Physics (AIP)
    Publication Date: 2016-01-13
    Description: A large remanent polarization close to theoretical value 80 μ C/cm 2 of bulk PbTiO 3 is achieved in epitaxial heterostructures of (120–600)-nm-thick PbTiO 3 films grown by pulsed laser deposition on (001) SrTiO 3 substrate using a 100-nm-thick SrRuO 3 bottom electrode layer. The heterostructures employing a 50-nm-thick electrode exhibit a significantly smaller polarization of ≤60 μ C/cm 2 . A detailed x-ray diffraction analysis of the crystal structure allows for relating this large polarization to electrode-controlled relaxation of epitaxial strain in PbTiO 3 . Based on the observed results, we anticipate that the electrode-promoted strain relaxation can be used to enhance polarization in other epitaxial ferroelectric films.
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  • 84
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    American Institute of Physics (AIP)
    Publication Date: 2016-01-05
    Description: For use in high-magnetic-field coil-based applications, the critical current density ( J c ) of REBa 2 Cu 3 O y (REBCO, where RE = rare earth) coated conductors must be isotropically improved, with respect to the direction of the magnetic field; these improvements must be realized at the operating conditions of these applications. In this study, improvement of the J c for various applied directions of magnetic field was achieved by controlling the morphology of the BaHfO 3 (BHO) nano-rods in a SmBCO film. We fabricated the 3.0 vol. % BHO-doped SmBCO film at a low growth temperature of 720 °C, by using a seed layer technique ( T s = 720 °C film). The low-temperature growth resulted in a morphological change in the BHO nano-rods. In fact, a high number density of (3.1 ± 0.1) × 10 3 μ m −2 of small (diameter: 4 ± 1 nm), discontinuous nano-rods that grew in various directions, was obtained. In J c measurements, the J c of the T s = 720 °C film in all directions of the applied magnetic field was higher than that of the non-doped SmBCO film. The J c min (6.4 MA/cm 2 ) of the former was more than 6 times higher than that (1.0 MA/cm 2 ) of the latter at 40 K, under 3 T. The aforementioned results indicated that the discontinuous BHO nano-rods, which occurred with a high number density, exerted a 3D-like flux pinning at the measurement conditions considered. Moreover, at 4.2 K and under 17 T, a flux pinning force density of 1.6 TN/m 3 was realized; this value was comparable to the highest value recorded, to date.
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  • 85
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-09
    Description: The paramagnetic fluctuations are investigated in La(Fe 0.88 Si 0.12 ) 13 . The disordered local moment (DLM) is represented by the first principle calculations. With a reduction of the volume, the DLM amplitude decreases gradually. In the temperature dependence of electrical resistivity ρ under hydrostatic pressure, an upturn in the variation of ρ in the paramagnetic state was observed with decreasing temperature, which is originated from the Curie-Weiss-type DLM fluctuations. In the vicinity of the critical pressure for disappearance of the DLM, the variation of ρ as a function of log( T ) was observed.
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  • 86
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-09
    Description: This paper discusses the influence of material strain and strain rate on efficiency and temperature span of elastocaloric cooling processes. The elastocaloric material, a newly developed quaternary Ni-Ti-Cu-V alloy, is characterized at different maximum strains and strain rates. The experiments are performed with a specially designed test setup, which enables the measurement of mechanical and thermal process parameters. The material efficiency is compared to the efficiency of the Carnot process at equivalent thermal operation conditions. This method allows for a direct comparison of the investigated material with other caloric materials.
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  • 87
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-09
    Description: Pulsed laser deposited thin Y Ba 2 Cu 3 O 7−x (YBCO) films with pinning additions of 5 at. % Ba 2 Y TaO 6 (BYTO) were compared to films with 2.5 at. % Ba 2 Y TaO 6 + 2.5 at. % Ba 2 Y NbO 6 (BYNTO) additions. Excellent magnetic flux-pinning at 77 K was obtained with remarkably high irreversibility fields greater than 10 T (YBCO-BYTO) and 11 T (YBCO-BYNTO), representing the highest ever achieved values in YBCO films.
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  • 88
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-11
    Description: Large crystalline molecular shells buckle spontaneously into icosahedra while multicomponent shells buckle into various polyhedra. Continuum elastic theory explains the buckling of closed shells with one elastic component into icosahedra. A generalized elastic model, on the other hand, describes the spontaneous buckling of inhomogeneous shells into regular and irregular polyhedra. By co-assembling water-insoluble anionic (−1) amphiphiles with cationic (3+) amphiphiles, we realized ionic vesicles. Results revealed that surface crystalline domains and the unusual shell shapes observed arise from the competition of ionic correlations with charge-regulation. We explain here the mechanism by which these ionic membranes generate a mechanically heterogeneous vesicle.
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