纳米晶粒生长的动力学蒙特卡罗模型

计算物理 ›› 2006, Vol. 23 ›› Issue (3): 309-316.

纳米晶粒生长的动力学蒙特卡罗模型

刘绍军^1,2, 段素青², 张丽萍³, 唐刚³

1. 北京师范大学物理系, 北京 100875;
2. 北京应用物理与计算数学研究所, 北京 100088;
3. 中国矿业大学物理系, 山东徐州 221008

收稿日期:2005-06-24 修回日期:1905-11-29 出版日期:2006-05-25 发布日期:2006-05-25
作者简介:刘绍军(1964-),male,Beijing,professor of physics,Ph D.,major in condensed matter physics.
基金资助:
Substantially supported by NSFC under Grant No.60471034,10576004,and partially by SRF for ROCS of SEM and the grant from BNU

A Lattice Kinetic Monte Carlo Model for Nano-Crystal Growth

LIU Shao-jun^1,2, DUAN Su-qing², ZHANG Li-ping³, TANG Gang³

1. Department of Physics, Beijing Normal University, Beijing 100875, China;
2. Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
3. Department of Physics, China University Mining & Technology, Xuzhou 221008, China

Received:2005-06-24 Revised:1905-11-29 Online:2006-05-25 Published:2006-05-25
Supported by:
Substantially supported by NSFC under Grant No.60471034,10576004,and partially by SRF for ROCS of SEM and the grant from BNU

摘要/Abstract

摘要： 给出应用于纳米晶粒生长的动力学蒙特卡罗模型,并对模拟方法做了细致的讨论.作为一个应用实例,对薄膜生长做了分类模拟研究.结果显示,改变三维Ehrlich-Schwoebel势垒将导致薄膜生长过程中多层原子岛的结构相变.

关键词: 动力学蒙特卡罗模型, 纳米晶粒生长

Abstract: A lattice kinetic Monte Carlo model for nano-crystal growth is presented and discussed in detail. As an example, we performed case studies of thin film growth. The result shows that an alteration of three-dimensional (3D) Ehrlich-Schwoebel (ES)barrier leads to shape transition of islands with multiple atomic layers in thin film growth.

Key words: kinetic Monte Carlo, nano-crystal growth

中图分类号:

O496

刘绍军, 段素青, 张丽萍, 唐刚. 纳米晶粒生长的动力学蒙特卡罗模型[J]. 计算物理, 2006, 23(3): 309-316.

LIU Shao-jun, DUAN Su-qing, ZHANG Li-ping, TANG Gang. A Lattice Kinetic Monte Carlo Model for Nano-Crystal Growth[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2006, 23(3): 309-316.