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  • 1
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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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  • 2
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    American Institute of Physics (AIP)
    Publication Date: 2016-11-05
    Description: Using atomistic simulations, several semi-coherent cube-on-cube bimetal interfaces are comparatively investigated to unravel the combined effect of the character of misfit dislocations, the stacking fault energy difference between bimetal pairs, and their lattice mismatch on the dissociation of interfacial misfit dislocations. Different dissociation paths and features under loadings provide several unique deformation mechanisms that are critical for understanding interface strengthening. In particular, applied strains can cause either the formation of global interface coherency by the migration of misfit dislocations from an interface to an adjoining crystal interior or to an alternate packing of stacking faults connected by stair-rod dislocations.
    Electronic ISSN: 2166-532X
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  • 3
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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.
    Electronic ISSN: 2166-532X
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  • 4
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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.
    Electronic ISSN: 2166-532X
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  • 5
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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.
    Electronic ISSN: 2166-532X
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  • 6
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    American Institute of Physics (AIP)
    Publication Date: 2016-12-01
    Description: Carrier multiplication using singlet exciton fission (SF) to generate a pair of spin-triplet excitons from a single optical excitation has been highlighted as a promising approach to boost the photocurrent in photovoltaics (PVs) thereby allowing PV operation beyond the Shockley-Queisser limit. The applicability of many efficient fission materials, however, is limited due to their poor solubility. For instance, while acene-based organics such as pentacene (Pc) show high SF yields (up to200%), the plain acene backbone renders the organic molecule insoluble in common organic solvents. Previous approaches adding solubilizing side groups such as bis(tri- iso -propylsilylethynyl) to the Pc core resulted in low vertical carrier mobilities due to reduction of the transfer integrals via steric hindrance, which prevented high efficiencies in PVs. Here we show how to achieve good solubility while retaining the advantages of molecular Pc by using a soluble precursor route. The precursor fully converts into molecular Pc through thermal removal of the solubilizing side groups upon annealing above 150 °C in the solid state. The annealed precursor shows small differences in the crystallinity compared to evaporated thin films of Pc, indicating that the Pc adopts the bulk rather than surface polytype. Furthermore, we identify identical SF properties such as sub-100 fs fission time and equally long triplet lifetimes in both samples.
    Electronic ISSN: 2166-532X
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  • 7
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    American Institute of Physics (AIP)
    Publication Date: 2016-12-08
    Description: We record the two-dimensional laser-induced fluorescence (LIF) on multiple plasma constituents in a YBiO 3 plasma. This allows us to directly link the influence of oxygen present in the background gas during pulsed laser deposition to the oxidation of plasma species as well as the formation of epitaxial YBiO 3 films. With spatiotemporal LIF mapping of the plasma species (Y, YO, Bi, and BiO) in different background gas compositions, we find that little direct chemical interaction takes place between the plasma plume constituents and the background gas. However, a strong influence of the background gas composition can be seen on the YBO film growth, as well as a strong correlation between the oxygen fraction in the background gas and the amount of YO in the plasma plume. We assign this correlation to a direct interaction between the background gas and the target in between ablation pulses. In an O 2 background, an oxygen-rich surface layer forms in between ablation pulses, which provides additional oxygen for the plasma plume during target ablation. This differs from our previous observations in STO and LAO plasmas, where species oxidation primarily takes place during propagation of the plasma plume towards the substrate.
    Electronic ISSN: 2166-532X
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  • 8
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-21
    Description: Disorder in the potential-energy landscape presents a major obstacle to the more rapid development of semiconductor quantum device technologies. We report a large-magnitude source of disorder, beyond commonly considered unintentional background doping or fixed charge in oxide layers: nanoscale strain fields induced by residual stresses in nanopatterned metal gates. Quantitative analysis of synchrotron coherent hard x-ray nanobeam diffraction patterns reveals gate-induced curvature and strains up to 0.03% in a buried Si quantum well within a Si/SiGe heterostructure. Electrode stress presents both challenges to the design of devices and opportunities associated with the lateral manipulation of electronic energy levels.
    Electronic ISSN: 2166-532X
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  • 9
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-24
    Description: In this review, we focus on the celebrated interface between two band insulators, LaAlO 3 and SrTiO 3 , that was found to be conducting, superconducting, and to display a strong spin-orbit coupling. We discuss the formation of the 2-dimensional electron liquid at this interface, the particular electronic structure linked to the carrier confinement, the transport properties, and the signatures of magnetism. We then highlight distinctive characteristics of the superconducting regime, such as the electric field effect control of the carrier density, the unique tunability observed in this system, and the role of the electronic subband structure. Finally we compare the behavior of T c versus 2D doping with the dome-like behavior of the 3D bulk superconductivity observed in doped SrTiO 3 . This comparison reveals surprising differences when the T c behavior is analyzed in terms of the 3D carrier density for the interface and the bulk.
    Electronic ISSN: 2166-532X
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  • 10
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-29
    Electronic ISSN: 2166-532X
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
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  • 11
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-29
    Description: Elastocaloric cooling has emerged as a promising alternative to vapor compression in recent years. Although the technology has the potential to be more efficient than current technologies, there are many technical challenges that must be overcome to realize devices with high performance and acceptable durability. We study the effects of surface finish and training techniques on dog bone shaped polycrystalline samples of NiTi. The fatigue life of several samples with four different surface finishes was measured and it was shown that a smooth surface, especially at the edges, greatly improved fatigue life. The effects of training both on the structure of the materials and the thermal response to an applied strain was studied. The load profile for the first few cycles was shown to change the thermal response to strain, the structure of the material at failure while the final structure of the material was weakly influenced by the surface finish.
    Electronic ISSN: 2166-532X
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  • 12
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-01
    Description: Temperature-dependent strength of Bi-Sb-Te under uniaxial compression is investigated. Bi-Sb-Te samples were produced by three methods: vertical zone-melting, hot extrusion, and spark plasma sintering (SPS). For zone-melted and extruded samples, the brittle-ductile transition occurs over a temperature range of 200-350 °C. In nanostructured samples produced via SPS, the transition is observed in a narrower temperature range of 170-200 °C. At room temperature, the strength of the nanostructured samples is higher than that of zone-melted and extruded samples, but above 300 °C, all samples decrease to roughly the same strength.
    Electronic ISSN: 2166-532X
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  • 13
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-06
    Description: Metastable phases, such as bcc Co or Ni and hcp Fe or Ni, reportedly possess extraordinary magnetic properties for epitaxial ultra-thin films. To understand phase stability of these epitaxy-oriented phases upon substrate lattices, we calculated novel phase diagrams of Co, Fe, and Ni ultrathin films by considering the chemical free energy, elastic strain energy, and surface energy. Verified by experimental data in the literatures, the stable epitaxy-oriented phases are readily identified from the phase diagrams. The stabilization of these metastable phases is determined by the interplay between orientation-dependent elastic strain energy and surface energy.
    Electronic ISSN: 2166-532X
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  • 14
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-06
    Description: A series of anti-perovskites including Sr 3 PbO are recently predicted to be a three-dimensional Dirac material with a small mass gap, which may be a topological crystalline insulator. Here, we report the epitaxial growth of Sr 3 PbO thin films on LaAlO 3 using molecular beam epitaxy. X-ray diffraction indicates (001) growth of Sr 3 PbO, where [110] of Sr 3 PbO matches [100] of LaAlO 3 . Measurements of the Sr 3 PbO films with parylene/Al capping layers reveal a metallic conduction with p -type carrier density of ∼10 20 cm −3 . The successful growth of high quality Sr 3 PbO film is an important step for the exploration of its unique topological properties.
    Electronic ISSN: 2166-532X
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  • 15
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-08
    Description: Electronic structures and thermoelectric transport properties of α-NaFeO 2 -type d 0 -electron layered complex nitrides AMN 2 (A = Sr or Na; M = Zr, Hf, Nb, Ta) were evaluated using density-functional theory and Boltzmann theory calculations. Despite the layered crystal structure, all materials had three-dimensional electronic structures. Sr(Zr, Hf)N 2 exhibited isotropic electronic transport properties because of the contribution of the Sr 4 d orbitals to the conduction band minimums (CBMs) in addition to that of the Zr 4 d (Hf 5 d ) orbitals. Na(Nb,Ta)N 2 showed weak anisotropic electronic transport properties due to the main contribution of the Nb 4 d (Ta 5 d ) and N 2 p orbitals to the CBMs and no contribution of the Na orbitals.
    Electronic ISSN: 2166-532X
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  • 16
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-13
    Description: Synthetic minerals and related systems based on Cu–S are attractive thermoelectric (TE) materials because of their environmentally benign characters and high figures of merit at around 700 K. This overview features the current examples including kesterite, binary copper sulfides, tetrahedrite, colusite, and chalcopyrite, with emphasis on their crystal structures and TE properties. This survey highlights the superior electronic properties in the p -type materials as well as the close relationship between crystal structures and thermophysical properties. We discuss the mechanisms of high power factor and low lattice thermal conductivity, approaching higher TE performances for the Cu–S based materials.
    Electronic ISSN: 2166-532X
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  • 17
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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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  • 18
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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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  • 19
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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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  • 20
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-28
    Description: We report on a new polar interface state between two band insulators: LaInO 3 and BaSnO 3 , where the sheet conductance enhancement in the interface reaches more than the factor of 10 4 depending on the La doping concentration in BaSnO 3 layer, by monitoring the conductance change before and after the polar interface formation as a function of La doping in BaSnO 3 . By eliminating the possibilities of oxygen vacancy involvement and cation diffusion, we show that the conductance enhancement is due to electronic reconstruction in the interface. Furthermore, we have found that the interfaces between BaSnO 3 and the larger bandgap non-polar perovskites BaHfO 3 and SrZrO 3 did not show such a conductance enhancement. We discuss a model for the interface state where the Fermi level plays a critical role and the conductance enhancement is due to the existence of polarization in the polar perovskite, LaInO 3 .
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  • 21
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-08
    Description: We review the spin-Seebeck and magnon-electron drag effects in the context of solid-state energy conversion. These phenomena are driven by advective magnon-electron interactions. Heat flow through magnetic materials generates magnetization dynamics, which can strongly affect free electrons within or adjacent to the magnetic material, thereby producing magnetization-dependent (e.g., remnant) electric fields. The relative strength of spin-dependent interactions means that magnon-driven effects can generate significantly larger thermoelectric power factors as compared to classical thermoelectric phenomena. This is a surprising situation in which spin-based effects are larger than purely charge-based effects, potentially enabling new approaches to thermal energy conversion.
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  • 22
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-13
    Description: In semiconductors almost all heat is conducted by phonons (lattice vibrations), which is limited by their quasi-particle lifetimes. Phonon-phonon interactions represent scattering mechanisms that produce thermal resistance. In thermoelectric materials, this resistance due to anharmonicity should be maximised for optimal performance. We use a first-principles lattice-dynamics approach to explore the changes in lattice dynamics across an isostructural series where the average atomic mass is conserved: ZnS to CuGaS 2 to Cu 2 ZnGeS 4 . Our results demonstrate an enhancement of phonon interactions in the multernary materials and confirm that lattice thermal conductivity can be controlled independently of the average mass and local coordination environments.
    Electronic ISSN: 2166-532X
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  • 23
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-22
    Description: We study the two-dimensional electron gas at the interface of NdTiO 3 and SrTiO 3 to reveal its nanoscale transport properties. At electron densities approaching 10 15 cm −2 , our terahertz spectroscopy data show conductivity levels that are up to six times larger than those extracted from DC electrical measurements. Moreover, the largest conductivity enhancements are observed in samples intentionally grown with larger defect densities. This is a signature of electron transport over the characteristic length-scales typically probed by electrical measurements being significantly affected by scattering by structural defects introduced during growth, and, a trait of a much larger electron mobility at the nanoscale.
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  • 24
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-22
    Description: The hybrid perovskite CH 3 NH 3 PbI 3 (MAPI) exhibits long minority-carrier lifetimes and diffusion lengths. We show that slow recombination originates from a spin-split indirect-gap. Large internal electric fields act on spin-orbit-coupled band extrema, shifting band-edges to inequivalent wavevectors, making the fundamental gap indirect. From a description of photoluminescence within the quasiparticle self-consistent GW approximation for MAPI, CdTe, and GaAs, we predict carrier lifetime as a function of light intensity and temperature. At operating conditions we find radiative recombination in MAPI is reduced by a factor of more than 350 compared to direct gap behavior. The indirect gap is retained with dynamic disorder.
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  • 25
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    American Institute of Physics (AIP)
    Publication Date: 2016-07-22
    Description: III-nitride semiconductors hold tremendous promise for realizing high efficiency photoelectrodes. However, previously reported InGaN photoelectrodes generally exhibit very low photocurrent densities, due to the presence of extensive defects, dislocations, and indium phase separation. Here, we show that In 0.5 Ga 0.5 N nanowires with nearly homogeneous indium distribution can be achieved by plasma-assisted molecular beam epitaxy. Under AM1.5G one sun illumination, the InGaN nanowire photoanode exhibits a photocurrent density of 7.3 mA/cm 2 at 1.2 V ( vs . NHE) in 1M HBr. The incident-photon-to-current efficiency is above 10% at 650 nm, which is significantly higher than previously reported values of metal oxide photoelectrodes.
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  • 26
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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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  • 27
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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.
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  • 28
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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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  • 29
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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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  • 30
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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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  • 31
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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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  • 32
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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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  • 33
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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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  • 34
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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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  • 35
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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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  • 36
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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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  • 37
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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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  • 38
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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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  • 39
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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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  • 40
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    American Institute of Physics (AIP)
    Publication Date: 2016-10-05
    Description: The conventional mechanoluminescence (ML) mechanism of phosphors such as SrAl 2 O 4 :Eu and ZnS:Mn is known to utilize carrier trapping at shallow traps followed by stress (or strain)-induced detrapping, which leads to activator recombination in association with local piezoelectric fields. However, such a conventional ML mechanism was found to be invalid for the ZnS:Cu-embedded polydimethylsiloxane (PDMS) composite, due to the absence of luminescence with a rigid matrix and a negligibly small value of the piezoelectric coefficient (d 33 ) of the composite. An alternative mechanism, namely, the triboelectricity-induced luminescence has been proposed for the mechanically driven luminescence of a ZnS:Cu-PDMS composite.
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  • 41
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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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  • 42
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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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  • 43
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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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  • 44
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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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  • 45
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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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  • 46
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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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  • 47
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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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  • 48
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    American Institute of Physics (AIP)
    Publication Date: 2016-09-08
    Description: Efficiency and dynamics of radiative recombination of carriers are crucial figures of merit for optoelectronic materials. Following the recent success of lead halide perovskites in efficient photovoltaic and light emitting technologies, here we review some of the noted literature on the luminescence of this emerging class of materials. After outlining the theoretical formalism that is currently used to explain the carrier recombination dynamics, we review a few significant works which use photoluminescence as a tool to understand and optimize the operation of perovskite based optoelectronic devices.
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  • 49
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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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  • 50
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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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  • 51
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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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  • 52
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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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  • 53
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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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  • 54
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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.
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  • 55
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    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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  • 56
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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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  • 57
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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.
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  • 58
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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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  • 59
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    American Institute of Physics (AIP)
    Publication Date: 2016-06-10
    Description: We report on the transport properties of hybrid devices obtained by depositing graphene on a LaAlO 3 /SrTiO 3 oxide junction hosting a 4 nm-deep 2-dimensional electron system. At low graphene-oxide inter-layer bias, the two electron systems are electrically isolated, despite their small spatial separation. A very efficient reciprocal gating of the two neighboring 2-dimensional systems is shown. A pronounced rectifying behavior is observed for larger bias values and ascribed to the interplay between electrostatic field-effects and tunneling across the LaAlO 3 barrier. The relevance of these results in the context of strongly coupled bilayer systems is discussed.
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  • 60
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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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  • 61
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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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  • 62
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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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  • 63
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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.
    Electronic ISSN: 2166-532X
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  • 64
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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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  • 65
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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.
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  • 66
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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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  • 67
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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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  • 68
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-11
    Description: We present a detailed study of compressively strained Pb x Sr 1− x TiO 3 thin films grown by off-axis radio frequency magnetron sputtering on (001)-oriented Nb-doped SrTiO 3 substrates. Film tetragonality and the ferroelectric critical temperatures are measured for samples of different composition and thickness and compared with a phenomenological Landau-Devonshire model. 180 ∘ ferroelectric domains are observed using both X-ray diffraction and piezoresponse force microscopy and domain sizes obtained by the two techniques are compared and discussed.
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  • 69
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    American Institute of Physics (AIP)
    Publication Date: 2016-08-16
    Description: Cu 12 Sb 4 S 13 -based tetrahedrites are high-performance thermoelectrics that contain earth-abundant and environmentally friendly elements. At present, the mechanistic understanding of their low lattice thermal conductivity (
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  • 70
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    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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  • 71
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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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  • 72
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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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  • 73
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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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  • 74
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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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  • 75
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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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  • 76
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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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  • 77
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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.
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  • 78
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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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  • 79
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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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  • 80
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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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  • 81
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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.
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  • 82
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    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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  • 83
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    American Institute of Physics (AIP)
    Publication Date: 2016-02-04
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  • 84
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    American Institute of Physics (AIP)
    Publication Date: 2016-02-09
    Description: Structural and transport properties in the normal and superconducting states are investigated in a Ca 0.8 La 0.2 FeAs 2 single crystal with T c = 27 K, belonging to the newly discovered 112 family of iron based superconductors. The transport critical current density J c for both field directions measured in a focused ion beam patterned microbridge reveals a weakly field dependent and low anisotropic behaviour with a low temperature value as high as J c (B = 0) ∼ 10 5 A/cm 2 . This demonstrates not only bulk superconductivity but also the potential of 112 superconductors towards applications. Interestingly, this superconducting compound undergoes a structural transition below 100 K which is evidenced by temperature-dependent X-ray diffraction measurements. Data analysis of Hall resistance and magnetoresistivity indicate that magnetotransport properties are largely dominated by an electron band, with a change of regime observed in correspondence of the onset of a structural transition. In the low temperature regime, the contribution of a hole band to transport is suggested, possibly playing a role in determining the superconducting state.
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  • 85
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    American Institute of Physics (AIP)
    Publication Date: 2016-02-13
    Description: We discuss and present search strategies for finding new thermoelectric compositions based on first principles electronic structure and transport calculations. We illustrate them by application to a search for potential n -type oxide thermoelectric materials. This includes a screen based on visualization of electronic energy isosurfaces. We report compounds that show potential as thermoelectric materials along with detailed properties, including SrTiO 3 , which is a known thermoelectric, and appropriately doped KNbO 3 and rutile TiO 2 .
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  • 86
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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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  • 87
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    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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