Related papers: Charge-dependent migration pathways for the Ga vac…
Ab initio molecular dynamics simulations are employed to investigate the dominant migration mechanism of the gallium vacancy in gaas as well as to assess its free energy of formation and the rate constant of gallium self-diffusion. our…
Irradiation of gallium arsenide (GaAs) produces immobile vacancies and mobile interstitials. However, after decades of experimental investigation, the immobile Ga vacancy eludes observation, raising the question: Where is the Ga vacancy?…
The dominant charge state for the Ga vacancy in GaAs has been the subject of a long debate, with experiments proposing $-$1, $-$2 or $-$3 as the best answer. We revisit this problem using {\it ab initio} calculations to compute the effects…
The stable and metastable configurations of interstitial Mg in GaN and its migration energy barriers are studied from first-principles calculations. In addition to the conventional octahedral (O, global energy minimum) and tetrahedral (T,…
Mani et al. have observed [1] zero-resistance states (ZRS) and energy gaps in a surprising setting: ultrahigh-mobility GaAs/AlGaAs heterostructures that contain a two dimensional electron Landau system (2DELS) exhibit vanishing diagonal…
We present density-functional-theory calculations which provide a microscopic picture of the recombination-enhanced migration of interstitial Mg in GaN. We determine stable structures and migration pathways with accurate HSE approximation…
A new method for investigating relaxation phenomena for charge carriers hopping between localized tail states has been developed. It allows us to consider both charge and energy {\it dispersive} transport. The method is based on the idea of…
Motivated by recent breakthrough in molecular beam epitaxy of GaAs/AlGaAs quantum wells [Y. J. Chung \textit{et al.}, Nature Materials \textbf{20}, 632 (2021)], we examine contributions to mobility and quantum mobility from various…
We use ab initio static relaxation methods and semi-empirical molecular-dynamics simulations to investigate the energetics and dynamics of the diffusion of adatoms, dimers, and vacancies on Cu(100). It is found that the dynamical energy…
We study the effects of electrostatic gating on the lateral distribution of charge carriers in two dimensional devices, in a non-linear dielectric environment. We compute the charge distribution using the Thomas-Fermi approximation to model…
We have investigated the photocarrier charge transport in n-type metallic GaAs nanowires (~ 10^17 cm^-3 doping level), grown by hydride vapor phase epitaxy (HVPE) on Si(111) substrates. Analysis of the luminescence intensity spatial…
In this work we examine the driving force for edge dislocations to climb in $\alpha$-Fe from atomistic and mesoscale viewpoints. We study the bias for the climb process depending on the dislocation orientation and the applied stress as…
The distribution function of transmitted charge through a double-barrier junction is studied at zero temperature and at small applied voltage. Both a semiclassical model, in which the transport is described by jump rates, and a quantum…
Processes of diffusion of As and P atoms in InP and InAs, and atomic and energy structure of group-V vacancies and interstitial P and As atoms in InP and InAs have been investigated using density functional theory. Formation energies of…
The transresistance (i.e. the voltage induced in one layer by a current in another) between composite fermions in double-layers of half-filled Landau levels is shown to be dominated by scattering due to singular gauge field fluctuations…
We employ a dual-gated geometry to control the band gap \Delta in bilayer graphene and study the temperature dependence of the resistance at the charge neutrality point, RNP(T), from 220 to 1.5 K. Above 5 K, RNP(T) is dominated by two…
We present the results of a systematic study using the density functional theory (within the local density approximation) of the effects of biaxial strain and composition on the self-diffusion of Si and Ge in SiGe alloys diffusing by a…
The Ga vacancy mediated microstructure evolution of (Ga,Mn)As during growth and post-growth annealing is studied using a multi-scale approach. The migration barriers for the Ga vacancies and substitutional Mn together with their…
A comprehensive analysis is presented for the diffusivity of oxygen defects and oxygen self-diffusion in ThO$-2$. The migration energy and diffusivity of oxygen defects with nominal charges have been investigated using density functional…
We study the formation energies of native point defects in GaN through density-functional theory. In our first-principles scheme, the band edges are positioned in accord with hybrid density functional calculations, thus yielding a band-gap…