Related papers: Impurity modes and effect of clustering in diluted…
We demonstrate how to overcome serious problems in understanding and classification of vibration spectra in semiconductor alloys, following from traditional use of the virtual crystal approximation (VCA). We show that such different systems…
The Cd1-xZnxTe semiconductor alloy is a regular system regarding its macroscopic mechanic properties in that its experimental bulk modulus exhibits a linear x-dependence, in line with ab initio predictions. Complexity arises at the bond…
The (Cd, Be)Te semiconductor alloy that exhibits a dramatic mismatch in bond covalency and stiffness clarifying its vibrational and mechanical properties is used as a benchmark to test the limits of the percolation model (PM) worked out to…
We study the effect of the electron-phonon coupling on vibrational eigenmodes of nano- and micro-mechanical systems made of semiconductors with equivalent energy valleys. We show that the coupling can lead to a strong mode nonlinearity. The…
Though extensively studied since the emergence of zincblende cubic A(B,C) semiconductor alloys (zb-SCA) in the sixties, the phonon mode behavior of Ga(As,P) remains a subject of debate to this day. Recently Zollner and co-authors reported…
We argue that an oscillatory motion of impurity-pinned solitons may occur in layered antiferromagnetic compounds. The characteristic frequencies of these modes, that may be detected by resonance or inelastic neutron scattering, are…
The acoustic vibrations of single monomers and dimers of gold nanoparticles were investigated by measuring for the first time their ultra-low frequency micro-Raman scattering. This experiment provides access not only to the frequency of the…
We present a novel cluster-expansion (CE) approach for the first-principles modeling of temperature and concentration dependent alloy properties. While the standard CE method includes temperature effects only via the configurational entropy…
We have studied the effects of strong impurity scattering on disordered superconductors beyond the low impurity concentration limit. By applying the full CPA to a superconductiong A-B binary alloy, we calculated the fluctuations of the…
We report the results of an ab initio modeling of substitutional impurities such as zinc, copper and zirconium ions incorporated into the magnesium sublattice of MgB2. The goal of computational studies was to gain an atomistic understanding…
The charged and magnetic states of isolated impurities dissolved in amorphous metallic alloy are investigated. The Hamiltonian of the system under study is the generalization of Anderson impurity model. Namely, the processes of elastic and…
We numerically investigate the vibrational spectra of single-component clusters in two-dimensions. Stable configurations of clusters at local energy minima are obtained, and for each the hessian matrix is evaluated and diagonalized to…
A possible explanation for the central abundance dips found from spatially-resolved X-ray spectroscopy of several groups and clusters of galaxies is resonance scattering. A number of the prominent iron emission lines are resonance lines. We…
Tuning the opto-electronic properties through alloying is essential for semiconductor technology. Currently, mostly isovalent and isostructural alloys are used (e.g., group-IV and III-V), but a vast and unexplored space of novel functional…
Aiming towards materials design for methane activation, we study temperature ($T$), pressure ($p$) dependence of the composition, structure, and stability of metal oxide clusters in a reactive atmosphere using a prototypical model catalyst…
The characteristics of discrete vibrational levels caused by a point three-parameter substitutional impurity in long linear chain of inert gas atoms adsorbed in groove on the surface of carbon nanobundle are studied. The impurity atom…
We investigate the influence of morphology and size on the vibrational properties of disordered clusters of colloidal particles with attractive interactions. From measurements of displacement correlations between particles in each cluster,…
A phenomenological approach to the stretching mode vibrational frequencies of defects in semiconductors is proposed. A novel quantum scale is defined in terms of the first principles pseudopotential based orbital radius and the principal…
Considering the interband correlation, we present a generalized multiple-scattering approach of Green's function to investigate the effects of electron-impurity scattering on the density of states in silicene. The reduction of energy gaps…
We develop a self-consistent theory describing the spin and spatial electron diffusion in the impurity band of doped semiconductors under the effect of a weak spin-orbit coupling. The resulting low-temperature spin-relaxation time and…