相关论文: Atomic Order in Non-Equilibrium Silicon-Germanium-…

Neutron diffraction and magnetic susceptibility studies show that orthorhombic single-crystals of topological semimetals ${\rm Sr(Mn_{0.9}Cu_{0.1})Sb_2}$ and ${\rm Sr(Mn_{0.9}Zn_{0.1})Sb_2}$ undergo three dimensional C-type…

Medium- and high-entropy alloys (M/HEAs) mix multiple principal elements with near-equiatomic composition and represent a paradigm-shift strategy for designing new materials for metallurgy, catalysis, and other fields. One of the core…

An exchange-correlation energy functional beyond the local density approximation, based on the exchange-correlation kernel of the homogeneous electron gas and originally introduced by Kohn and Sham, is considered for electronic structure…

High-temperature superconductor $Bi_{2}Sr_{2}CaCu_{2}O_{8}+x$ has been investigated by the high-resolution electron microscope (HREM) and the photodensitometric technique in order to resolve the sub-atomic shifts in the modulated structure.…

Ultra-wide bandgap (UWBG) semiconductors are poised to transform power electronics by surpassing the capabilities of established wide bandgap materials, such as GaN and SiC, owing to their capability to operate at higher voltage, frequency,…

We study cooperative single-photon spontaneous emission from N multilevel atoms for different atomic distributions in optical vector theory. Instead of the average approximation for interatomic distance or the continuum approximation (sums…

In the study of subdiffusive wave-packet spreading in disordered Klein-Gordon (KG) nonlinear lattices, a central open question is whether the motion continues to be chaotic despite decreasing densities, or tends to become quasi-periodic as…

The stability of the three-dimensional vortex-glass order in random type-II superconductors with point disorder is investigated by equilibrium Monte Carlo simulations based on a lattice XY model with a uniform field threading the system. It…

In this study, we have used a Zr-Nb alloy containing well-defined nano-precipitates as a model material in which to study imaging contrast inversions (atomic number or diffraction contrast) observed with the forescattered electron imaging…

The family of 2D layered semiconductors, including transition metal chalcogenides (TMCs) of the form MX (M=Ga, In; X=S, Se, Te) exhibit exceptional nonlinear optical properties. The energetically most favorable crystal ordering for…

A simulated annealing (SA) approach is employed in the determination of different tight binding (TB) sets of parameters for the nitride semiconductors AlN, GaN and InN, as well their limitations and potentialities are also discussed. Two…

The ordered structure of MgO-ZnO alloy system is a versatile tunable optical material promising for diverse optoelectronic applications. However, isovalent and isostructural alloy compositions of MgO-ZnO are generally unstable at ambient…

We present the first world-wide inter-laboratory comparison of small-angle X-ray scattering (SAXS) for nanoparticle sizing. The measurands in this comparison are the mean particle radius, the width of the size distribution and the particle…

III-nitride alloys are wide band gap semiconductors with a broad range of applications in optoelectronic devices such as light emitting diodes and laser diodes. Indium gallium nitride light emitting diodes have been successfully produced…

This paper reports the presence of extended-range ordering in the atomic pair-correlation function of amorphous silicon ($a$-Si) using ultra-large atomistic models obtained from Monte Carlo and molecular-dynamics simulations. The…

Solute segregation plays an important role in formation of long-period stacking ordered (LPSO) structure in Mg-M-RE (M: Zn, Ni etc., RE: Y, Gd, etc.) alloy systems. In this work, the planar segregation in Mg-Al-Gd alloy is characterized by…

The use of a special quasirandom structure (SQS) is a rational and efficient way to approximate random alloys. A wide variety of physical properties of metallic and semiconductor random alloys have been successfully estimated by a…

We report on a study of (001) oriented fcc Fe-Ni alloy surfaces which combines first-principles calculations and low-temperature STM experiments. Density functional theory calculations show that Fe-Ni alloy surfaces are buckled with the Fe…

Enhancing properties and performances of aluminium alloys by a control of their solidification is pivotal in automotive and aerospace industries. The fundamental role of the structure-diffusion relationship is investigated for Al-Mg-Si…

Electron tomography is a technique used in both materials science and structural biology to image features well below optical resolution limit. In this work, we present a new algorithm for reconstructing the three-dimensional(3D)…