相关论文: Zinc-Blende group III-V/group IV epitaxy: importan…
Nanoscale inhomogeneities are typical for numerous metallic alloys and crucially important for their practical applications. At the same time, stabilization mechanisms of such a state are poorly understood. We present a general overview of…
Anion substitution with bismuth (Bi) in III-V semiconductors is an effective method for experimental engineering of the band gap Eg at low Bi concentrations, in particular in gallium arsenide (GaAs). The inverse Bi-concentration dependence…
Dilute bismuth (Bi) III-V alloys have recently attracted great attention, due to their properties of band-gap reduction and spin-orbit splitting. The incorporation of Bi into antimonide based III-V semiconductors is very attractive for the…
The dynamics of dislocations confined to grain boundaries in a striped system are studied using electroconvection in the nematic liquid crystal N4. In electroconvection, a striped pattern of convection rolls forms for sufficiently high…
Technological applications of novel metastable materials are frequently inhibited by abundant defects residing in these materials. Using first-principles methods we investigate the point defect thermodynamics and phase segregation in the…
The epitaxial growth of the polar GaP(100) on the nonpolar Si(100) substrate suffers from inevitable defects at the antiphase domain boundaries, resulting from mono-atomic steps on the Si(100) surface. Stabilization of Si(100) substrate…
We study how the ferroelastic domain structure sets in in an epitaxial film of a material with second order proper ferroelastic transition. The domain structures considered are similar to either $a_{1}/a_{2}/a_{1}/a_{2}$ or $c/a/c/a$…
Understanding irradiation-induced strain in silicon carbide (SiC) is essential for designing radiation-tolerant ceramic materials. However, conventional methods often fail to resolve nanoscale strain gradients, especially in polycrystalline…
The domain structure of (1-x)Pb(Mg1/3Nb2/3)O3- xPbTiO3 single crystals with composition x ~ 0.33 in the range of the morphotropic phase boundary (MPB) was studied. Based on the analysis of spontaneous strain compatibility and charge of…
We investigate the effect of metastable gas-liquid (G-L) separation on crystal growth in a system of either monodisperse or slightly size-polydisperse square well particles, using a simulation setup that allows us to focus on the growth of…
Antisite defects play a critical role in Nb$_3$Sn superconducting radio frequency (SRF) cavity physics. Such defects are the primary form of disorder in Nb$_3$Sn, and are responsible for stoichiometry variations, including experimentally…
We address a three-dimensional, coarse-grained description of dislocation networks at grain boundaries between rotated crystals. The so-called amplitude expansion of the phase-field crystal model is exploited with the aid of finite element…
Bulk V2O3 features concomitant metal-insulator (MIT) and structural (SPT) phase transitions at TC ~ 160 K. In thin films, where the substrate clamping can impose geometrical restrictions on the SPT, the epitaxial relation between the V2O3…
Despite the growing interest in topological materials, the difficulty of experimentally synthesizing and integrating them with other materials has been one of the main barriers restricting access to their unique properties. Recent advances…
The II-IV-N$_2$ class of heterovalent ternary nitrides have gained significant interest as alternatives to the III-nitrides for electronic and optoelectronic applications. In this study, we apply first-principles calculations based on…
We study the phase transition in a face-centered-cubic antiferromagnet with Ising spins as a function of the concentration $p$ of ferromagnetic bonds randomly introduced into the system. Such a model describes the spin-glass phase at strong…
Symmetry-breaking quantum phase transitions lead to the production of topological defects or domain walls in a wide range of physical systems. In second-order transitions, these exhibit universal scaling laws described by the Kibble-Zurek…
The stacking sequence of hexagonal close-packed and related crystals typically results in steps on vicinal {0001} surfaces that have alternating A and B structures with different growth kinetics. However, because it is difficult to…
This study presents a first principles investigation of the structural, thermodynamic, electronic, optical and thermoelectric properties of aluminum antimonide (AlSb) in its cubic (F-43m) and hexagonal (P63mc) phases. Both structures are…
Incorporation of $\mathrm{Al_{y}Ga_{1-y}N}$ (AGN) semiconductors into high power electronics offers efficiency improvements in power transmission, generation, and use, if approaches to eliminate the defects arising from film-lattice…