VIDSIM - A Monte Carlo program for the simulation of atomic diffusion in diamond and zinc-blende structures

Published: 1 January 1990| Version 1 | DOI: 10.17632/57zpzyhhjp.1
U. Schmid, N.C. Myers, J.A. Van Vechten


Abstract We descibe a Monte Carlo program for the simulation of point defect diffusion interaction in diamond and zinc-blende structure crystals. The simulated defects comprise vacancies, host or impurities. Several diffusion mechanisms, such as vacancy first and second neighbor hopping, the Frank-Turnbull and the kick-out hypothesis are simulated. The program is entirely controlled by the user, who ,ay simulate various models with different parameters, diffusion activation energies, etc. Thus, the ev... Title of program: VIDSIM VER. 2.11 Catalogue Id: ABRF_v1_0 Nature of problem Over the years various workers have proposed a large variety of models for point defect migration, interaction and reaction in semi-conductor crystals, and in other solids. There is much controversy over the validity of the several atom-level models that compete to be accepted as the explanation for macroscopic observations of atomic diffusion, etc. There are long standing disputes as to the true consequences of particular models and assumptions. We contend that the reason there is so much contr ... Versions of this program held in the CPC repository in Mendeley Data ABRF_v1_0; VIDSIM VER. 2.11; 10.1016/0010-4655(90)90067-B This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Surface Science, Condensed Matter Physics, Computational Physics