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

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)

摘要 本文介绍一款用于模拟金刚石与闪锌矿结构晶体中点缺陷扩散相互作用的蒙特卡洛（Monte Carlo）程序。模拟对象涵盖空位、基质原子及杂质原子，本次模拟包含多种扩散机制，包括空位第一近邻与第二近邻跳跃、弗兰克-特恩布尔（Frank-Turnbull）机制以及挤出（kick-out）假说。该程序完全由用户自主操控，用户可针对不同参数、扩散激活能等设置开展多样模型的模拟，进而可开展……

程序名称：VIDSIM 版本2.11
目录编号：ABRF_v1_0
问题背景
多年来，诸多研究者针对半导体晶体及其他固体中的点缺陷迁移、相互作用与反应提出了大量模型。针对多款竞相试图解释原子扩散等宏观观测现象的原子级模型，目前仍存在诸多争议；针对特定模型与假设的真实结果，学界长期存在诸多分歧。我们认为，造成此类诸多争议的原因在于……

孟德尔莱数据（Mendeley Data）中CPC程序库收录的该程序版本：ABRF_v1_0；VIDSIM 版本2.11；DOI：10.1016/0010-4655(90)90067-B
本程序源自贝尔法斯特女王大学馆藏的CPC程序库（1969-2018）