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High pressure crystal structures of orthovanadates and their properties
2020
Pressure-induced phase transitions in orthovanadates have led to interesting physical phenomena. The observed transitions usually involve large volume collapses and drastic changes in the electronic and vibrational properties of the materials. In some cases, the phase transitions implicate coordination changes in vanadium, which has important consequences in the physical properties of vanadates. In this Perspective, we explore the current knowledge of the behavior of MVO4 vanadates under compression. In particular, we summarize studies of the structural, vibrational, and electronic properties and a few illustrative examples of high-pressure research in the compounds of interest are discusse…
Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations
2016
We have performed density functional theory calculations using the HSE06 hybrid functional to investigate the energetics, atomic, and electronic structure of intrinsic defects as well as Na and K impurities in the kesterite structure of the Cu2ZnSnSe4 (CZTSe) solar cell material. We found that both Na and K atoms prefer to be incorporated into this material as substitutional defects in the Cu sublattice. At this site highly stable (Na–Na), (K–K), and (Na–K) dumbbells can form. While Na interstitial defects are stable in CZTSe, the formation of K interstitial defects is unlikely. In general, the calculated formation energies for Na-related defects are always lower compared to their K-related…
Irradiation effects in CaF2probed by Raman scattering
2016
The formation conditions and dynamics of Ca colloids and point defects that appear in irradiated single crystals of CaF2 were investigated by Raman spectroscopy. The intensity changes in the Raman spectra because of the presence of different concentrations of point defects and Ca colloids that emerged in CaF2 after irradiation with 2.2 GeV Au ions were used to study their distribution and stability under illumination with three laser wavelengths (473, 532 and 633 nm) at different output powers (2 to 200 mW). A damage saturation at a fluence of 6 × 1011 ion cm−2 was observed. The dependence of the spectral changes on the ion fluence can be described by a core/halo damage cross-section model.…
Comparative Theoretical Analysis of BN Nanotubes Doped with Al, P, Ga, As, In, and Sb
2013
SUMMARY AND CONCLUDING REMARKS We have performed large-scale first-principles calculations ofthe electronic structure of (5,5) boron nitride nanotubescontaining the following substitutional impurity atoms: Al, P,Ga, As, In, and Sb. Calculations have been performed using thetwo methods: (i) linear combination of atomic orbitals(LCAO) with the atomic-centered Gaussian-type functions asa basis set and (ii) linearized augmented cylindrical wave(LACW) accompanied with the local density functional andmuffin-tin approximations for the electronic potential. In arelatively good qualitative agreement, both methods predict lowformation energies and, thus, relative stability of point defectsthat are assoc…
Analytical description of solid particles kinematics due to a fluid flow and application to the depiction of characteristic kinematics in cold sprayi…
2017
Abstract In several multiphase flow applications such as fluidization, thermal spraying, atomization manufacturing and so on, the Newton's law is widely enacted to formulate the particle/fluid kinematic interaction and then to compute particles kinematics. This paper provides analytical solutions of the Newton's law in its time-dependent formulation or simplified formulation, the latter being a reduction of the time dependent problem into a spatial description of the particle motion. It was found that the velocity solution is strictly similar in both cases so that the simplified formulation is viable. The W_ 1 branch of the Lambert's function yields the analytical particle residence time an…
The influence of AlN buffer over the polarity and the nucleation of self-organized GaN nanowires
2015
We experimentally investigate the influence of AlN buffer growth on the nucleation and the polarity of a self-organized assembly of GaN nanowires (NWs) grown on Si. Two complementary growth mechanisms for AlN buffer deposited on Si are demonstrated. Both emphasize the aggregation of Si on the AlN surface and the growth of large cubic crystallites, namely, AlN pedestals. Further growths of GaN NWs assembly reveal that the GaN 2D layer found at the bottom of the NW assembly is the result of the coalescence of Ga-polar pyramids, whereas AlN pedestals are observed as preferential but not exclusive NW nucleation sites. NWs are N-polar or exhibit inversion domains with a Ga-polar core/N-polar she…
Custom measurement system for memristor characterisation
2021
Abstract A cheap, compact and customisable characterisation system for memristor devices, working between ± 10 V, is presented. SPICE (Simulation Program with Integrated Circuit Emphasis) simulations are performed to verify the circuit feasibility and a proper software is developed to drive the system. The potentiality of the realised system is tested by performing several electrical measurements on both Cu/HfO2/Pt memristors and two-terminals commercial devices.
Dynamic Consensus: Increasing Blockchain Adaptability to Enterprise Applications
2020
Decentralization powered by blockchain is validated for its capability to build trust like no other computational system before. The evolution of blockchain models has opened new use-cases that are becoming operational in many industry fields such as: energy, healthcare, banking, cross-border trade, aerospace, supply chain, and others. The core component of a decentralized architecture is the consensus algorithm - the set of rules that ensures an automated and fair agreement between the actors in the same network. Classic consensus algorithms are tailored to solve specific problems, but in an open ecosystem, each business case is unique and needs a certain level of customization. This paper…
Magnetic domain structure of La0.7Sr0.3MnO 3 thin-films probed at variable temperature with scanning electron microscopy with polarization analysis
2013
The domain configuration of 50 nm thick La0.7Sr0.3MnO3 films has been directly investigated using scanning electron microscopy with polarization analysis (SEMPA), with magnetic contrast obtained without the requirement for prior surface preparation. The large scale domain structure reflects a primarily four-fold anisotropy, with a small uniaxial component, consistent with magneto-optic Kerr effect measurements. We also determine the domain transition profile and find it to be in agreement with previous estimates of the domain wall width in this material. The temperature dependence of the image contrast is investigated and compared to superconducting-quantum interference device magnetometry …
Spin Hall magnetoresistance in antiferromagnetic insulators
2020
Antiferromagnetic materials promise improved performance for spintronic applications, as they are robust against external magnetic field perturbations and allow for faster magnetization dynamics compared to ferromagnets. The direct observation of the antiferromagnetic state, however, is challenging due to the absence of a macroscopic magnetization. Here, we show that the spin Hall magnetoresistance (SMR) is a versatile tool to probe the antiferromagnetic spin structure via simple electrical transport experiments by investigating the easy-plane antiferromagnetic insulators $\alpha$-Fe2O3 (hematite) and NiO in bilayer heterostructures with a Pt heavy metal top electrode. While rotating an ext…