相关论文: First-principles calculations of thermal electron …
Hydrogen point defects in silicon still hold unsolved problems, whose disclosure is fundamental for future advances in Si technologies. Among the open issues is the mechanism for the condensation of atomic hydrogen into molecules in Si…
We report first principles ab initio density functional calculations of hydrogen dynam- ics in hydrogenated amorphous silicon. Thermal motion of the host Si atoms drives H diffusion, as we demonstrate by direct simulation and explain with…
The simulations of field-evaporation processes for silicon atoms on various Si(001) surfaces are implemented using the first-principles calculations based on the real-space finite-difference method. We find that the atoms which locate on…
Electron excitations at silicon and 3C-SiC surfaces caused by an intense femtosecond laser pulse can be calculated by solving the time-dependent density functional theory and the Maxwell's equation simultaneously. The energy absorption,…
We examine the fate of fast electrons (with energies E>10 eV) in a thermal gas of primordial composition. To follow their interactions with the background gas, we construct a Monte Carlo model that includes: (1) electron-electron scattering…
The coefficient of diffusion of hydrogen in crystalline silicon is calculated using tight-binding molecular dynamics. Our results are in good quantitative agreement with an earlier study by Panzarini and Colombo [Phys. Rev. Lett. 73, 1636…
The electron and phonon temperature distribution function are calculated in semiconductors. We solved the coupled one-dimensional heat-diffussion equations in the linear approximation in which the physical parameters on the sample are…
Electron and phonon transient temperatures are analyzed in the case of nondegenerate semiconductors. An analytical solution is obtained for rectangular laser pulse absorption. It is shown that thermal diffusion is the main energy relaxation…
The thermal electron emission rate constant for C$_{60}^-$ has been deduced over a range of 4 eV internal energy from storage ring measurements of the decays of ions reheated with single photons absorption. The thermal radiation from the…
We propose a new approximation for the cyclo-synchrotron emissivity of a single electron. In the second part of this work, we discuss a simple application for our approximation, and investigate the heating of electrons through the…
The thermal characteristics of silicon between 15 and 300 deg K are investigated by applying a computer program on the solution of the differential heat diffusion equation. The computer model is linked to high-purity silicon through a set…
The electron dephasing processes in two-dimensional homogeneous and inhomogeneous indium tin oxide thin films have been investigated in a wide temperature range 0.3--90 K. We found that the small-energy-transfer electron-electron ($e$-$e$)…
The rate of electron transfer between a molecular species and a metal, each at a different local temperature, is examined theoretically through implementation of a bithermal (characterized by two temperatures) Marcus formalism. Expressions…
First-principles prediction of thermal conductivity and radiative properties is crucial. However, computing phonon scattering, especially for four-phonon scattering, could be prohibitively expensive, and the thermal conductivity even for…
As it is known from visible light experiments, silicon under femtosecond pulse irradiation can undergo the so-called 'nonthermal melting' if the density of electrons excited from the valence to the conduction band overcomes a certain…
We calculate superconducting transition temperatures ($T_{\rm c}$) in sulfur hydrides H$_{2}$S and H$_{3}$S from first principles using the density functional theory for superconductors. At pressures of $\lesssim$150 GPa, the high values of…
The model of hydrogen migration and of the reactions of hydrogen atoms with electrically active impurity, developed earlier, has been applied to simulate hydrogen diffusion and passivation process during plasma deuteration of silicon…
The conditions for disk evaporation by electron thermal conduction are examined, using a simplified semi--analytical 1-D model. The model is based on the mechanism proposed by Meyer & Meyer-Hofmeister (1994) in which an advection dominated…
Thermionic emission has been exploited to give rise to the theory of thermionic cooling also known as electron transpiration cooling, which can potentially serve as a powerful and engineerable cooling mode for hypersonic leading edges that…
First principles molecular dynamics simulations reveal a liquid-liquid phase transition in supercooled elemental silicon. Two phases coexist below $T_c\approx 1232K$. The low density phase is nearly tetra-coordinated, with a pseudogap at…