Related papers: Intrinsic point defects in aluminum antimonide
Deterioration of the operation parameters of Al/SiO2/p-type Si surface barrier detector upon irradiation with alpha-particles at room temperature was investigated. As a result of 40-days irradiation with a total fluence of 8*10^9…
We theoretically investigate the correlated decoherence dynamics of two mobile impurities trapped within a gas of ultracold fermionic atoms. We use a mean-field approximation to self-consistently describe the effect of impurity-gas…
New experimental results supported by theoretical analyses are proposed for aluminum silicon carbide (Al4SiC4). A state of the art implementation of the Density Functional Theory is used to analyze the experimental crystal structure, the…
The relativistic nature of the electron motion underlies the intrinsic part of the anomalous Hall effect, believed to dominate in ferromagnetic (Ga,Mn)As. In this paper, we concentrate on the crystal band structure as an important facet to…
Using a band-structure method that includes the correction to the band gap error in the local density approximation (LDA), we study the chemical trends of the band gap variation in III-V semiconductors and predict that the band gap for InN…
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturbing fields (electric, magnetic). Like for density functional…
Based on electronic structure calculations, the structure of intrinsic positive charge solvated in superfluid helium is identified as triatomic He3^+ ion, which is bound to the surrounding ground state helium atoms through the charge -…
A rigorous understanding of the thermodynamic properties of point defects, namely vacancies and self-interstitials, is crucial for the discovery and screening of structural materials in clean energy applications. In this work, we extend a…
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…
Continuing the arguments in Paper I (arXiv: cond-mat/0405487), we model the temperature dependence of interstitial defects in a surface-free face-centered-cubic (fcc) elemental crystal and obtain the free energy and correlation behavior…
We study the influence of main compensating defects: As antisites and Mn interstitials, known to occur in GaMnAs ferromagnetic semiconductor, on its structural properties. Our experimental results show that there is a balance between Mn…
We calculate the quantum corrections to the entropy of a very large black hole, coming from the theory of a $D$-dimensional, non-critical bosonic string. We show that, for $D >2$, as a result of modular invariance the entropy is ultraviolet…
Theory of low temperature kinetic phenomena in metals without inversion center is developed. Kinetic properties of a metal without inversion center are described by four kinetic equations for the diagonal (intra-band) and the off-diagonal…
We report the observation by angle-resolved photoemission spectroscopy of an impurity state located inside the superconducting gap of Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ and vanishing above the superconducting critical temperature, for which…
To date, computational methods for modeling defects (vacancies, adsorbates, etc.) rely on periodic supercells in which the defect is far enough from its repeated image such that they can be assumed non-interacting. Yet, the relative…
The family of atomically thin magnets holds great promise for a number of prospective applications in magneto-optoelectronics, with CrI$_3$ arguably being its most prototypical member. However, the formation of defects in this system…
Impurity diffusion in Zr is potentially important for many applications of Zr alloys, and in particular for their use of nuclear reactor cladding. However, significant uncertainty presently exists about which elements are vacancy vs.…
We present a comprehensive study of the vacancy in bulk silicon in all its charge states from 2+ to 2-, using a supercell approach within plane-wave density-functional theory, and systematically quantify the various contributions to the…
The anisotropy of the London penetration depth is evaluated for two-band superconductors with arbitrary inter- and intra-band scattering times. If one of the bands is clean and the other is dirty in the absence of inter-band scattering, the…
Using transient grating spectroscopy (TGS) we measure the thermal diffusivity of tungsten exposed to different levels of 20 MeV self-ion irradiation. Damage as low as 3.2 x 10^-4 displacements per atom (dpa) causes a measurable reduction in…