Dynamic Monte Carlo method

About: Dynamic Monte Carlo method is a research topic. Over the lifetime, 13294 publications have been published within this topic receiving 371256 citations.

A Monte Carlo modeling of electron interaction with solids including cascade secondary electron production

Abstract: A new Monte Carlo simulation approach has been developed to describe electron scattering and secondary electron generation processes in solids. This approach is based on the uses of Mott's elastic scattering cross section and Penn's dielectric function. A very good agreement has been found on the energy distribution of backscattered electrons between theoretical calculations and accurate experimental measurement recently made by Goto et al. (1994). This fact confirms that the present Monte Carlo model is very useful for more comprehensive understanding of basic phenomena in electron spec-troscopy and microscopy, particularly in the sub-keV energy region where cascade secondary electrons play a dominant role. In this paper the details of the Monte Carlo procedure are described and further application to the mechanism of secondary electron generation is presented.

Finite-size effects and Coulomb interactions in quantum Monte Carlo calculations for homogeneous systems with periodic boundary conditions

Abstract: Quantum Monte Carlo (QMC) calculations are only possible in finite systems and so solids and liquids must be modeled using small simulation cells subject to periodic boundary conditions. The resulting finite-size errors are often corrected using data from local-density functional or Hartree-Fock calculations, but systematic errors remain after these corrections have been applied. The results of our jellium QMC calculations for simulation cells containing more than 600 electrons confirm that the residual errors are significant and decay very slowly as the system size increases. We show that they are sensitive to the form of the model Coulomb interaction used in the simulation cell Hamiltonian and that the usual choice, exemplified by the Ewald summation technique, is not the best. The finite-size errors can be greatly reduced and the speed of the calculations increased by a factor of 20 if a better choice is made. Finite-size effects plague most methods used for extended Coulomb systems and many of the ideas in this paper are quite general: they may be applied to any type of quantum or classical Monte Carlo simulation, to other many-body approaches such as the GW method, and to Hartree-Fock and density-functional calculations.

Effect of electron-electron scattering on nonequilibrium transport in quantum-well systems

Abstract: We model nonequilibrium transport in a GaAs-${\mathrm{Al}}_{\mathrm{x}}$${\mathrm{Ga}}_{1\mathrm{\ensuremath{-}}\mathrm{x}}$As quantum-well structure using an ensemble Monte Carlo simulation of the full multisubband system in which we include electron-electron (e-e) scattering explicitly into the calculation. The e-e scattering cross section is calculated using the Born approximation and introduced into the transient Monte Carlo simulation via a self-scattering technique. This interaction is found to be especially effective in transferring energy between different subbands, thus thermalizing the carriers within a picosecond. The model described herein is applied to the study of laser-excited carriers in a quantum-well system and to the response of such a system to high parallel electric fields. In the case of laser excitation, e-e interaction may dominate the initial evolution, reducing the cascade of carriers via optical-phonon emission.