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  • 1
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    American Institute of Physics (AIP)
    Publication Date: 2016-11-11
    Description: We study the effect of self-assembled monolayer (SAM) treatment of the SiO 2 dielectric on the electrical characteristics of PbS transistors. Using SAMs, we observe threshold voltage shifts in the electron transport, allowing us to tune the electrical properties of the devices depending on the SAM molecule used. Moreover, the use of a specific SAM improves the charge carrier mobility in the devices by a factor of three, which is attributed to the reduced interface traps due to passivated silanol on the SiO 2 surface. These reduced traps confirm that the voltage shifts are not caused by the trap states induced by the SAMs.
    Electronic ISSN: 2166-532X
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  • 2
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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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  • 3
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    American Institute of Physics (AIP)
    Publication Date: 2016-11-22
    Description: We report a method in making transmission electron microscopy sample for both CVD-grown and exfoliated 2D materials without etching process, thus gentle to those 2D materials that are sensitive to water and reactive etchants. Large-scale WS 2 monolayer grown on glass, NbS 2 atomic layers grown on exfoliated h-BN flakes, and water-sensitive exfoliated TiS 2 flakes are given as representative examples. We show that the as-transferred samples not only retain excellent structural integrity down to atomic scale but also have little oxidations, presumably due to the minimum contact with water/etchants. This method paves the way for atomic scale structural and chemical investigations in sensitive 2D materials.
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  • 4
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    American Institute of Physics (AIP)
    Publication Date: 2016-11-22
    Electronic ISSN: 2166-532X
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  • 5
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    American Institute of Physics (AIP)
    Publication Date: 2016-12-07
    Description: The structure and luminescence mechanisms of the CuInS 2 quantum dots (QDs) after epitaxial growth of ZnS shell are in debate. The light absorption/emission spectroscopy reveals that after ZnS shell growth the cation diffusion at the CuInS 2 /ZnS interface results in formation of the alloyed Cu x Zn 1− x InS 2 /ZnS:Cu QDs. These core/shell QDs exhibit dual-color photoluminescence with abnormal blue shift with decreasing excitation photon energy. The results show that the green and orange emissions originate separately from defects in the core and the shell. The absorption tail of the ZnS QDs turns from Urbach to Halperin-Lax type after Cu doping.
    Electronic ISSN: 2166-532X
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  • 6
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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.
    Electronic ISSN: 2166-532X
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  • 7
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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.
    Electronic ISSN: 2166-532X
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  • 8
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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.
    Electronic ISSN: 2166-532X
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  • 9
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-19
    Description: A multilayer capacitor comprising 19 layers of 38 μ m-thick 0.9Pb(Mg 1/3 Nb 2/3 )O 3 –0.1PbTiO 3 has elsewhere been shown to display electrocaloric temperature changes of 2.2 K due to field changes of 24 V μ m −1 , near ∼100 °C. Here we demonstrate temperature changes of 1.2 K in an equivalent device with 2.6 times the thermal mass, i.e., 49 layers that could tolerate 10.3 V μ m −1 . Breakdown was compromised by the increased number of layers, and occurred at 10.5 V μ m −1 near the edge of a near-surface inner electrode. Further optimization is required to improve the breakdown strength of large electrocaloric multilayer capacitors for cooling applications.
    Electronic ISSN: 2166-532X
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  • 10
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-19
    Description: To experimentally (dis)prove ferroelectric effects on the properties of lead-halide perovskites and of solar cells, based on them, we used second-harmonic-generation spectroscopy and the periodic temperature change (Chynoweth) technique to detect the polar nature of methylammonium lead bromide (MAPbBr 3 ). We find that MAPbBr 3 is probably centrosymmetric and definitely non-polar; thus, it cannot be ferroelectric. Whenever pyroelectric-like signals were detected, they could be shown to be due to trapped charges, likely at the interface between the metal electrode and the MAPbBr 3 semiconductor. These results indicate that the ferroelectric effects do not affect steady-state performance of MAPbBr 3 solar cells.
    Electronic ISSN: 2166-532X
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  • 11
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-21
    Description: In this letter, we report a NiAl buffer layer as a template for the integration of epitaxial current-perpendicular-plane-giant magnetoresistive (CPP-GMR) devices on a Si(001) single crystalline substrate. By depositing NiAl on a Si wafer at an elevated temperature of 500 °C, a smooth and epitaxial B 2-type NiAl(001) layer was obtained. The surface roughness was further improved by depositing Ag on the NiAl layer and applying subsequent annealing process. The epitaxial CPP-GMR devices grown on the buffered Si(001) substrate present a large magnetoresistive output comparable with that of the devices grown on an MgO(001) substrate, demonstrating the possibility of epitaxial spintronic devices with a NiAl templated Si wafer for practical applications.
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  • 12
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-27
    Description: With their ability to rapidly elucidate composition-structure-property relationships, high-throughput experimental studies have revolutionized how materials are discovered, optimized, and commercialized. It is now possible to synthesize and characterize high-throughput libraries that systematically address thousands of individual cuts of fabrication parameter space. An unresolved issue remains transforming structural characterization data into phase mappings. This difficulty is related to the complex information present in diffraction and spectroscopic data and its variation with composition and processing. We review the field of automated phase diagram attribution and discuss the impact that emerging computational approaches will have in the generation of phase diagrams and beyond.
    Electronic ISSN: 2166-532X
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  • 13
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-28
    Description: The experimental search for new thermoelectric materials remains largely confined to a limited set of successful chemical and structural families, such as chalcogenides, skutterudites, and Zintl phases. In principle, computational tools such as density functional theory (DFT) offer the possibility of rationally guiding experimental synthesis efforts toward very different chemistries. However, in practice, predicting thermoelectric properties from first principles remains a challenging endeavor [J. Carrete et al. , Phys. Rev. X 4 , 011019 (2014)], and experimental researchers generally do not directly use computation to drive their own synthesis efforts. To bridge this practical gap between experimental needs and computational tools, we report an open machine learning-based recommendation engine ( http://thermoelectrics.citrination.com ) for materials researchers that suggests promising new thermoelectric compositions based on pre-screening about 25 000 known materials and also evaluates the feasibility of user-designed compounds. We show this engine can identify interesting chemistries very different from known thermoelectrics. Specifically, we describe the experimental characterization of one example set of compounds derived from our engine, RE 12 Co 5 Bi ( RE = Gd, Er), which exhibits surprising thermoelectric performance given its unprecedentedly high loading with metallic d and f block elements and warrants further investigation as a new thermoelectric material platform. We show that our engine predicts this family of materials to have low thermal and high electrical conductivities, but modest Seebeck coefficient, all of which are confirmed experimentally. We note that the engine also predicts materials that may simultaneously optimize all three properties entering into zT ; we selected RE 12 Co 5 Bi for this study due to its interesting chemical composition and known facile synthesis.
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  • 14
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-02
    Description: Here we report the thermoelectric properties of NbCoSn-based n-type half-Heuslers (HHs) that were obtained through arc melting, ball milling, and hot pressing process. With 10% Sb substitution at the Sn site, we obtained enhanced n-type properties with a maximum power factor reaching ∼35 μ W cm −1 K −2 and figure of merit (ZT) value ∼0.6 in NbCoSn 0.9 Sb 0.1 . The ZT is doubled compared to the previous report. In addition, the specific power cost ($ W −1 ) is decreased by ∼68% comparing to HfNiSn-based n-type HH because of the elimination of Hf.
    Electronic ISSN: 2166-532X
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  • 15
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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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  • 16
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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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  • 17
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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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  • 18
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-23
    Description: The magnetic and transport properties of Fe 3 O 4 films with a series of thicknesses are investigated. For the films with thickness below 15 nm, the saturation magnetization (M s ) increases and the coercivity decreases with the decrease in films’ thickness. The M s of 3 nm Fe 3 O 4 film is dramatically increased to 1017 emu/cm 3 . As for films’ thickness more than 15 nm, M s is tending to be close to the Fe 3 O 4 bulk value. Furthermore, the Verwey transition temperature (T v ) is visible for all the films, but suppressed for 3 nm film. We also find that the ρ of 3 nm film is the highest of all the films. The suppressed T v and high ρ may be related to the islands morphology in 3 nm film. To study the structure, magnetic, and transport properties of the Fe 3 O 4 films, we propose that the giant magnetic moment most likely comes from the spin of Fe ions in the tetrahedron site switching parallel to the Fe ions in the octahedron site at the surface, interface, and grain boundaries. The above results are of great significance and also provide a promising future for either device applications or fundamental research.
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  • 19
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-29
    Description: Two structural phase transitions are investigated in highly strained BiFeO 3 thin films as a function of film thickness and temperature via synchrotron x-ray diffraction. Both transition temperatures (upon heating: monoclinic M C to monoclinic M A to tetragonal) decrease as the film becomes thinner. A film-substrate interface layer, evidenced by half-order peaks, contributes to this behavior, but at larger thicknesses (above a few nanometers), the temperature dependence results from electrostatic considerations akin to size effects in ferroelectric phase transitions, but observed here for structural phase transitions within the ferroelectric phase. For ultra-thin films, the tetragonal structure is stable to low temperatures.
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  • 20
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-25
    Description: Magnetic interfaces have been identified as promising systems upon which to base next-generation spintronic devices. In these nearly two-dimensional systems, deviations from bulk electronic structure and competition between nearly degenerate magnetic ground states allow the stabilization of widely tunable emergent properties. However, ever smaller length scales pose new challenges which must be overcome in order to understand and control magnetic properties at the atomic level. Using recent examples in oxide heterostructures and topological insulators, we discuss how combining techniques such as neutron scattering, X-ray scattering, X-ray spectroscopy, and transmission electron microscopy enables the probing of magnetism on the Angstrom scale.
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  • 21
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-30
    Description: Searchable, interactive, databases of material properties, particularly those relating to functional materials (magnetics, thermoelectrics, photovoltaics, etc.) are curiously missing from discussions of machine-learning and other data-driven methods for advancing new materials discovery. Here we discuss the manual aggregation of experimental data from the published literature for the creation of interactive databases that allow the original experimental data as well additional metadata to be visualized in an interactive manner. The databases described involve materials for thermoelectric energy conversion, and for the electrodes of Li-ion batteries. The data can be subject to machine-learning, accelerating the discovery of new materials.
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  • 22
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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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  • 23
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-12
    Description: Single crystals of Mott-Hubbard insulator LaVO 3 exhibit spin and orbital ordering along with a structural change below ≈140 K. The occurrence of orbital ordering in epitaxial LaVO 3 films has, however, been little investigated. By temperature-dependent Raman scattering spectroscopy, we probed and evidenced the transition to orbital ordering in epitaxial LaVO 3 film samples fabricated by pulsed-laser deposition. This opens up the possibility to explore the influence of different epitaxial strain (compressive vs . tensile) and of epitaxy-induced distortions of oxygen octahedra on the orbital ordering, in epitaxial perovskite vanadate films.
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  • 24
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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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  • 25
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-14
    Description: In artificial multiferroics hybrids consisting of ferromagnetic La 0.7 Sr 0.3 MnO 3 (LSMO) and ferroelectric BaTiO 3 epitaxial layers, net Ti moments are found from polarized resonant soft x-ray reflectivity and absorption. The Ti dichroic reflectivity follows the Mn signal during the magnetization reversal, indicating exchange coupling between the Ti and Mn ions. However, the Ti dichroic reflectivity shows stronger temperature dependence than the Mn dichroic signal. Besides a reduced ferromagnetic exchange coupling in the interfacial LSMO layer, this may also be attributed to a weak Ti-Mn exchange coupling that is insufficient to overcome the thermal energy at elevated temperatures.
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  • 26
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-16
    Description: Our ability to collect “big data” has greatly surpassed our capability to analyze it, underscoring the emergence of the fourth paradigm of science, which is data-driven discovery. The need for data informatics is also emphasized by the Materials Genome Initiative (MGI), further boosting the emerging field of materials informatics. In this article, we look at how data-driven techniques are playing a big role in deciphering processing-structure-property-performance relationships in materials, with illustrative examples of both forward models (property prediction) and inverse models (materials discovery). Such analytics can significantly reduce time-to-insight and accelerate cost-effective materials discovery, which is the goal of MGI.
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  • 27
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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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  • 28
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-22
    Description: Near infrared light emitting nanocrystals are known to lose efficiency when embedded in a polymer matrix. One of the factors leading to reduced efficiency is the labile nature of the ligands that may desorb off the nanocrystal surface when the nanocrystals are in the polymer solution. We show that adding trioctylphosphine to the nanocrystal-poly(methylmethacrylate) solution prior to film casting enhances the photoluminescence efficiency. The solid films’ photoluminescence quantum efficiency values are reduced by less than a factor of two in the solid form compared to the solution case. We demonstrate record efficiency values of 25% for lead sulfide nanocrystals solid films emitting at 1100 nm.
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  • 29
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-29
    Description: The creation of new materials “by design” is a process that starts from desired materials properties and proceeds to identify requirements for the constituent components. Such process is challenging because it inverts the typical modeling approach, which starts from given micro-level components to predict macro-level properties. We describe how to tackle this inverse problem using concepts from evolutionary computation. These concepts have widespread applicability and open up new opportunities for design as well as discovery. Here we apply them to design tasks involving two very different classes of soft materials, shape-optimized granular media and nanopatterned block copolymer thin films.
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  • 30
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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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  • 31
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-13
    Description: This letter reports on a systematic investigation of sputter induced damage in graphene caused by low energy Ar + ion bombardment. The integral numbers of ions per area (dose) as well as their energies are varied in the range of a few eV’s up to 200 eV. The defects in the graphene are correlated to the dose/energy and different mechanisms for the defect formation are presented. The energetic bombardment associated with the conventional sputter deposition process is typically in the investigated energy range. However, during sputter deposition on graphene, the energetic particle bombardment potentially disrupts the crystallinity and consequently deteriorates its properties. One purpose with the present study is therefore to demonstrate the limits and possibilities with sputter deposition of thin films on graphene and to identify energy levels necessary to obtain defect free graphene during the sputter deposition process. Another purpose is to disclose the fundamental mechanisms responsible for defect formation in graphene for the studied energy range.
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  • 32
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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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  • 33
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-26
    Description: This review focuses on the application of triblock copolymers as designed templates to synthesize nanoporous materials with various compositions. Asymmetric triblock copolymers have several advantages compared with symmetric triblock copolymers and diblock copolymers, because the presence of three distinct domains can provide more functional features to direct the resultant nanoporous materials. Here we clearly describe significant contributions of asymmetric triblock copolymers, especially polystyrene- block -poly(2-vinylpyridine)- block -poly(ethylene oxide) (abbreviated as PS- b -P2VP- b -PEO).
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  • 34
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-30
    Description: Single nanowires of two manganese oxide polymorphs (α-MnO 2 and todorokite manganese oxide), which display a controlled size variation in terms of their square structural tunnels, were isolated onto nanofabricated platforms using dielectrophoresis. This platform allowed for the measurement of the electronic conductivity of these manganese oxides, which was found to be higher in α-MnO 2 as compared to that of the todorokite phase by a factor of ∼46. Despite this observation of substantially higher electronic conductivity in α-MnO 2 , the todorokite manganese oxide exhibited better electrochemical rate performance as a Li-ion battery cathode. The relationship between this electrochemical performance, the electronic conductivities of the manganese oxides, and their reported ionic conductivities is discussed for the first time, clearly revealing that the rate performance of these materials is limited by their Li + diffusivity, and not by their electronic conductivity. This result reveals important new insights relevant for improving the power density of manganese oxides, which have shown promise as a low-cost, abundant, and safe alternative for next-generation cathode materials. Furthermore, the presented experimental approach is suitable for assessing a broader family of one-dimensional electrode active materials (in terms of their electronic and ionic conductivities) for both Li-ion batteries and for electrochemical systems utilizing charge-carrying ions beyond Li + .
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  • 35
    facet.materialart.
    American Institute of Physics (AIP)
    Publication Date: 2016-02-19
    Description: The past decade has been especially creative for spintronics since the (re)discovery of various two dimensional (2D) materials. Due to the unusual physical characteristics, 2D materials have provided new platforms to probe the spin interaction with other degrees of freedom for electrons, as well as to be used for novel spintronics applications. This review briefly presents the most important recent and ongoing research for spintronics in 2D materials.
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  • 36
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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.
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  • 37
    facet.materialart.
    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.
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  • 38
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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.
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  • 39
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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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  • 40
    facet.materialart.
    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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  • 41
    facet.materialart.
    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 .
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  • 42
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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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  • 43
    facet.materialart.
    American Institute of Physics (AIP)
    Publication Date: 2016-03-17
    Description: Electrical manipulation of magnetism has been a long sought-after goal to realize energy-efficient spintronics. During the past decade, multiferroic materials combining (anti)ferromagnetic and ferroelectric properties are now drawing much attention and many reports have focused on magnetoelectric coupling effect through strain, charge, or exchange bias. This paper gives an overview of recent progress on electrical manipulation of magnetism through strain-mediated magnetoelectric coupling in multiferroic heterostructures.
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  • 44
    facet.materialart.
    American Institute of Physics (AIP)
    Publication Date: 2016-02-04
    Description: We report a direct conversion of hexagonal boron nitride (h-BN) into pure cubic boron nitride (c-BN) by nanosecond laser melting at ambient temperatures and atmospheric pressure in air. According to the phase diagram, the transformation from h-BN into c-BN can occur only at high temperatures and pressures, as the hBN-cBN-Liquid triple point is at 3500 K/9.5 GPa. Using nanosecond laser melting, we have created super undercooled state and shifted this triple point to as low as 2800 K and atmospheric pressure. The rapid quenching from super undercooled state leads to formation of super undercooled BN (Q-BN). The c-BN phase is nucleated from Q-BN depending upon the time allowed for nucleation and growth.
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  • 45
    facet.materialart.
    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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  • 46
    facet.materialart.
    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.
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  • 47
    facet.materialart.
    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 .
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  • 48
    facet.materialart.
    American Institute of Physics (AIP)
    Publication Date: 2016-03-02
    Description: We report the experimental observation of longitudinal spin Seebeck effect in a multiferroic helimagnet Ba 0.5 Sr 1.5 Zn 2 Fe 12 O 22 . Temperature gradient applied normal to Ba 0.5 Sr 1.5 Zn 2 Fe 12 O 22 /Pt interface generates inverse spin Hall voltage of spin current origin in Pt, whose magnitude was found to be proportional to bulk magnetization of Ba 0.5 Sr 1.5 Zn 2 Fe 12 O 22 even through the successive magnetic transitions among various helimagnetic and ferrimagnetic phases. This finding demonstrates that the helimagnetic spin wave can be an effective carrier of spin current. By controlling the population ratio of spin-helicity domains characterized by clockwise/counter-clockwise manner of spin rotation with use of poling electric field in the ferroelectric helimagnetic phase, we found that spin-helicity domain distribution does not affect the magnitude of spin current injected into Pt. The results suggest that the spin-wave spin current is rather robust against the spin-helicity domain wall, unlike the case with the conventional ferromagnetic domain wall.
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  • 49
    facet.materialart.
    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.
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  • 50
    facet.materialart.
    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.
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  • 51
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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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  • 52
    facet.materialart.
    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.
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  • 53
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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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  • 54
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    American Institute of Physics (AIP)
    Publication Date: 2016-03-25
    Description: A Microwave-Induction Heating (MIH) scheme is proposed for the poly(4-vinylphenol) (PVP) gate insulator cross-linking process to replace the traditional oven heating cross-linking process. The cross-linking time is significantly decreased from 1 h to 5 min by heating the metal below the PVP layer using microwave irradiation. The necessary microwave power was substantially reduced to about 50 W by decreasing the chamber pressure. The MIH scheme is a good candidate to replace traditional thermal heating for cross-linking of PVP as the gate insulator for organic thin-film-transistors.
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  • 55
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-01
    Electronic ISSN: 2166-532X
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  • 56
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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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  • 57
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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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  • 58
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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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  • 59
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    American Institute of Physics (AIP)
    Publication Date: 2016-04-29
    Description: The global trend of miniaturization and concomitant increase of functionality in microelectronics, microoptics, and various other fields in microtechnology leads to an emerging demand for temperature control at small scales. In this realm, elastocaloric cooling is an interesting alternative to thermoelectrics due to the large latent heat and good down-scaling behavior. Here, we investigate the elastocaloric effect due to a stress-induced phase transformation in binary TiNi and quaternary TiNiCuCo films of 20 μ m thickness produced by DC magnetron sputtering. The mesoscale mechanical and thermal performance, as well as the fatigue behavior are studied by uniaxial tensile tests combined with infrared thermography and digital image correlation measurements. Binary films exhibit strong features of fatigue, involving a transition from Lüders-like to homogeneous transformation behavior within three superelastic cycles. Quaternary films, in contrast, show stable Lüders-like transformation without any signs of degradation. The elastocaloric temperature change under adiabatic conditions is −15 K and −12 K for TiNi and TiNiCuCo films, respectively. First-of-its-kind heat pump demonstrators are developed that make use of out-of-plane deflection of film bridges. Owing to their large surface-to-volume ratio, the demonstrators reveal rapid heat transfer. The TiNiCuCo-based devices, for instance, generate a temperature difference of 3.5 K within 13 s. The coefficients of performance of the demonstrators are about 3.
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  • 60
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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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  • 61
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-18
    Description: The electrocaloric effect (ECE) of two compositions (x = 0.06 and 0.07) of (1 − x)(Na 0.5 Bi 0.5 )TiO 3 -xKNbO 3 in the vicinity of the morphotropic phase boundary is studied by direct measurements. ΔT max = 1.5 K is measured at 125 °C under 70 kV/cm for NBT-6KN while ΔT max = 0.8 K is measured at 75 °C under 55 kV/cm for NBT-7KN. We show that the “shoulder,” T S , in the dielectric permittivity, marks the upper limit of the ECE peak under high applied electric fields. These results imply that the range of temperature with high ECE can be quickly identified for a given composition, which will significantly speed up the process of materials selection for ECE cooling.
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  • 62
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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.
    Electronic ISSN: 2166-532X
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  • 63
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-20
    Description: Ferroelectrics are attractive candidate materials for environmentally friendly solid state refrigeration free of greenhouse gases. Their thermal response upon variations of external electric fields is largest in the vicinity of their phase transitions, which may occur near room temperature. The magnitude of the effect, however, is too small for useful cooling applications even when they are driven close to dielectric breakdown. Insight from microscopic theory is therefore needed to characterize materials and provide guiding principles to search for new ones with enhanced electrocaloric performance. Here, we derive from well-known microscopic models of ferroelectricity meaningful figures of merit for a wide class of ferroelectric materials. Such figures of merit provide insight into the relation between the strength of the effect and the characteristic interactions of ferroelectrics such as dipolar forces. We find that the long range nature of these interactions results in a small effect. A strategy is proposed to make it larger by shortening the correlation lengths of fluctuations of polarization. In addition, we bring into question other widely used but empirical figures of merit and facilitate understanding of the recently observed secondary broad peak in the electrocalorics of relaxor ferroelectrics.
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  • 64
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-21
    Description: PbSe is an inexpensive alternative for PbTe as a mid-temperature thermoelectric material, but few investigations have been reported about its intrinsic properties despite recent efforts on doping techniques. In this work, pristine PbSe bulk materials were synthesized by a process combining mechanical alloying and spark plasma sintering, which is increasingly used for processing thermoelectric materials, and their electrical and thermal transport properties as well as thermoelectric performance were investigated in a wide temperature range. A maximum ZT ∼0.83 was obtained at 673 K in nominal composition PbSe + 3 or 4 at. % Pb, leading to nearly 50% enhancement from reported n -type pristine PbSe, mainly benefitting from the improved electrical performance. Furthermore, the potential thermoelectric efficiency was also improved due to the enhanced low-temperature performance, showing a high average ZT of 0.6 that is even comparable to that of commercial n -type Bi 2 Te 3 materials.
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  • 65
    facet.materialart.
    American Institute of Physics (AIP)
    Publication Date: 2016-05-24
    Description: We report a systematic study on the thermoelectric performance of spin Seebeck devices based on Fe 3 O 4 /Pt junction systems. We explore two types of device geometries: a spin Hall thermopile and spin Seebeck multilayer structures. The spin Hall thermopile increases the sensitivity of the spin Seebeck effect, while the increase in the sample internal resistance has a detrimental effect on the output power. We found that the spin Seebeck multilayers can overcome this limitation since the multilayers exhibit the enhancement of the thermoelectric voltage and the reduction of the internal resistance simultaneously, therefore resulting in significant power enhancement. This result demonstrates that the multilayer structures are useful for improving the thermoelectric performance of the spin Seebeck effect.
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  • 66
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-26
    Description: We report p-doping of the BaSnO 3 (BSO) by replacing Ba with K. The activation energy of K-dopants is estimated to be about 0.5 eV. We have fabricated pn junctions by using K-doped BSO as a p-type and La-doped BSO as an n-type semiconductor. I-V characteristics of these devices exhibit an ideal rectifying behavior of pn junctions with the ideality factor between 1 and 2, implying high integrity of the BSO materials. Moreover, the junction properties are found to be very stable after repeated high-bias and high-temperature thermal cycling, demonstrating a large potential for optoelectronic functions.
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  • 67
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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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  • 68
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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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  • 69
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    American Institute of Physics (AIP)
    Publication Date: 2016-05-28
    Electronic ISSN: 2166-532X
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  • 70
    facet.materialart.
    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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  • 71
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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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  • 72
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-24
    Description: The main ideas in the theory of thermoelectrics are discussed. We discuss power generation, thermoelectric cooling, transport theory, the Seebeck coefficient, and phonon drag.
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  • 73
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-24
    Description: Here we demonstrate a method to tune a ferroelectric imprint, which is stable in time, based on the coupling between the non-switchable polarization of ZnO and switchable polarization of PbZr x Ti (1−x) O 3 . SrRuO 3 /PbZr x Ti (1−x) O 3 /ZnO/SrRuO 3 heterostructures were grown with different ZnO thicknesses. It is shown that the coercive voltages and ferroelectric imprint vary linearly with the thickness of ZnO. It is also demonstrated that the ferroelectric imprint remains stable with electric field cycling and electric field stress assisted aging.
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  • 74
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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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  • 75
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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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  • 76
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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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  • 77
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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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  • 78
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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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  • 79
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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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  • 80
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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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  • 81
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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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  • 82
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-02
    Description: We present unusual high hardness (up to 7.7 GPa) achieved in Cu/Al multilayers relative to monolithic Cu and Al films (∼2 GPa and ∼1 GPa, respectively). Nanotwins and stacking faults (SFs) were proposed to be the main contributors of hardness enhancement, especially when h 〈 5 nm. Using molecular dynamics simulations of deposition, we demonstrated that intermixing near Cu/Al interface was paramount in stabilizing the SFs in both Cu and Al layers. Our experimental results indicated that the high strength caused by layer intermixing was in sharp contrast to the general belief that only sharp interface structures could strengthen the multilayers.
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  • 83
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-02
    Description: In this work, transparent conducting oxides (TCOs) have been employed as a back contact instead of Mo on Cu 2 ZnSnSe 4 (CZTSe) thin-film solar cells in order to examine the feasibility of bifacial Cu 2 ZnSn(S,Se) 4 (CZTSSe) solar cells based on a vacuum process. It is found that the interfacial reaction between flourine doped tin oxide (FTO) or indium tin oxide (ITO) and the CZTSe precursor is at odds with the conventional CZTSe/Mo reaction. While there is no interfacial reaction on CZTSe/FTO, indium in CZTSe/ITO was significantly diffused into the CZTSe layers; consequently, a SnO 2 layer was formed on the ITO substrate. Under bifacial illumination, we achieved a power efficiency of 6.05% and 4.31% for CZTSe/FTO and CZTSe/ITO, respectively.
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  • 84
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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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  • 85
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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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  • 86
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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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  • 87
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-28
    Description: Over the last few years, tremendous progress has been made in the research field of perovskite solar cells. Not only are record power conversion efficiencies now exceeding 20%, but our understanding about the different mechanisms leading to this extraordinary performance has improved phenomenally. The aim of this special issue is to review the current state-of-the-art understanding of perovskite solar cells. Most of the presented articles are research updates giving a succinct overview over different aspects concerning perovskite solar cells.
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  • 88
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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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  • 89
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    American Institute of Physics (AIP)
    Publication Date: 2016-01-05
    Description: Transport characteristics of TiN/Ta/TaO x /TiN resistive-switching crossbar devices with amorphous TaO x functional layer have been investigated at cryogenic temperatures. Quasi-DC I - V characteristics at 10 K show a negative differential resistance region followed by a rapid transition to the non-volatile formed state. Accounting for Joule heating, the device temperature at the point of switching was estimated at 150 K. Measurements of transient resistance at low stage temperatures revealed an abrupt drop of resistance delayed by a characteristic incubation time after the leading edge of the voltage pulse. The incubation time was a strong function of applied voltage but did not depend on temperature between 10 K and 100 K. This implies a very low activation energy of the threshold switching process at low temperatures. Both of these observations argue against the involvement of oxygen vacancy motion at the onset of the forming process.
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