相关论文: Impact Ionization in ZnS
In this work, we investigate the ionization of silicon by electron impacts in hot plasmas. Our calculations of the cross sections and rates rely on the Coulomb-Born-Exchange, Binary-Encounter-Dipole and Distorted-Wave methods implemented in…
A theoretical investigation of extremely high field transport in an emerging wide-bandgap material $\beta-Ga_2O_3$ is reported from first principles. The signature high-field effect explored here is impact ionization. Interaction between a…
Optical measurements of the real and imaginary frequency dependent conductivity of uncompensated n-type silicon are reported. The experiments are done in the quantum limit, $ \hbar\omega > k_{B}T$, across a broad doping range on the…
Coulomb effects in the intra-beam scattering are taken into account in a way providing correct description of the spin-dependent contribution to the beam loss rate. It allows one to calculate this rate for polarized $e^{\pm}$ beams at…
We propose a systematic procedure for constructing effective models of strongly correlated materials. The parameters, in particular the on-site screened Coulomb interaction U, are calculated from first principles, using the GW…
Electronic structure of the transition metal (TM) dopants in ZnO is calculated by first principles approach. Analysis of the results is focused on the properties determined by the intrashell Coulomb coupling. The role of both direct and…
We present quantum-mechanical theory of impact ionization in semiconductors with the direct band gap in \$\Gamma\$-point. It is shown that energy dependence of the impact ionization rate \$\mathcal{W}(E)\$ near a threshold \$E_{th}\$ is…
The ballistic and shift contributions to the interband linear photogalvanic effect are calculated in the same band structure model of a noncentrosymmetric semiconductor. The calculation uses a two-band generalized Dirac effective…
We study the effect of isospin degree of freedom on the balance energy as well as its mass dependence throughout the mass range 48-270 for two sets of isobaric systems with N/Z = 1 and 1.4 using isospin-dependent quantum molecular dynamics…
An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…
Results are presented of a fully ab-initio calculation of impact ionization rates in GaAs within the density functional theory framework, using a screened-exchange formalism and the highly precise all-electron full-potential linearized…
We present a new ab initio method for calculating effective onsite Coulomb interactions of itinerant and strongly correlated electron systems. The method is based on constrained local density functional theory formulated in terms of…
An instantaneous and zero-range spin-dependent interaction, derived by summing an infinite number of electron-hole ladder diagrams within a local approximation, is analyzed as a function of the electron gas density and the relative spin…
The energy dependence and intensity of Coulomb interaction between quasiparticles in metallic wires is obtained from two different methods: determination of the temperature dependence of the phase coherence time from the magnetoresistance,…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
By employing forces that depend on the internal electronic state (or spin) of an atomic ion, the Coulomb potential energy of a strongly coupled array of ions can be modified in a spin-dependent way to mimic effective quantum spin…
This study investigates the influence of quantum effects on Coulomb explosion dynamics using time-dependent density functional theory (TDDFT) simulations, comparing classical, semi-classical, and quantum approaches. The goal is to elucidate…
A linear-response method to calculate the effective Coulomb interaction ($U$) between closed-shell localized electrons is suggested and applied to the $3d$ closed-shell systems (Cu, Zn, and ZnO) based on plane-wave basis density-functional…
Previous luminescence and absorption experiments in Co-doped ZnO revealed two ionization and one intrashell transition of $d(\textrm{Co}^{2+})$ electrons. Those optical properties are analyzed within the generalized gradient approximation…
We consider the frequency dependent Coulomb interaction between electrons in a molecular metal in the limit in which the conduction bandwidth is much less than the plasma frequency, which in turn is much less than intramolecular excitation…