Ge/Pb/Si(111)生长中Ge原子沿团簇边缘扩散的三维Monte-Carlo模拟

计算物理 ›› 2013, Vol. 30 ›› Issue (3): 441-446.

Ge/Pb/Si(111)生长中Ge原子沿团簇边缘扩散的三维Monte-Carlo模拟

吴黎黎, 吴锋民

浙江师范大学凝聚态物理研究所, 浙江金华 321004

收稿日期:2012-08-27 修回日期:2012-12-06 出版日期:2013-05-25 发布日期:2013-05-25
作者简介:吴黎黎(1978-),女,硕士,副教授,主要从事薄膜生长的计算机模拟,E-mail:goiuy@zjnu.cn
基金资助:
浙江省自然科学基金(Y6100384)资助项目

3D Simulation of Ge Edge-Diffusion Around Clusters in Ge/Pb/Si(111) Growth

WU Lili, WU Fengmin

Institute of Condensed matter Physics, Zhejiang Normal University, Jinhua 321004, China

Received:2012-08-27 Revised:2012-12-06 Online:2013-05-25 Published:2013-05-25

摘要/Abstract

摘要： 用动态Monte-Carlo方法对Ge在单层表面活性剂Pb覆盖的Si(111)表面上沿团簇边缘扩散进行三维模拟.重点讨论Ge原子是否沿团簇边缘扩散,沿边缘扩散时的最大扩散步数及最近邻原子数对三维生长的影响,并计算薄膜表面粗糙度研究三维生长模式.模拟表明Ge沿团簇边缘扩散的行为对薄膜生长模式的影响很大,同时讨论了ES势对三维生长模式的影响.

关键词: 沿团簇边缘扩散, 表面活性剂, 表面粗糙度, Monte-Carlo模拟

Abstract: A kinetic Monte Carlo simulation is shown to investigate 3-dimensional growth of Ge on Si(111) substrate as monolayer of Pb atoms are pre-deposited as surfactant.We focus on Ge diffusion around edge of clusters.Effects of Ge diffusing around cluster edge,maximum diffusion steps for edge-diffusion and number of nearest neighbors on 3D growth mode are discussed.Coverage dependences of surface roughness are calculated to investigate growth mode.It shows that Ge edge-diffusion around clusters plays an important role on growth mode of 3D film growth.Effects of ES barrier on growth mode on Ge/Pb/Si(111) are explored.

Key words: edge-diffusion around clusters, surfactant, surface roughness, Monte-Carlo simulation

中图分类号:

O411.3

吴黎黎, 吴锋民. Ge/Pb/Si(111)生长中Ge原子沿团簇边缘扩散的三维Monte-Carlo模拟[J]. 计算物理, 2013, 30(3): 441-446.

WU Lili, WU Fengmin. 3D Simulation of Ge Edge-Diffusion Around Clusters in Ge/Pb/Si(111) Growth[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2013, 30(3): 441-446.

[1]	谷建法, 戴振生, 古培俊, 叶文华, 郑无敌, 邹士阳. 点火靶驱动不对称性与表面粗糙度的模耦合模拟[J]. 计算物理, 2016, 33(6): 645-651.
[2]	叶学民, 沈雷, 李春曦. 含表面活性剂液膜去湿过程的数值模拟[J]. 计算物理, 2013, 30(3): 361-370.
[3]	吴黎黎, 陆杭军, 吴锋民. 稳恒磁场下金属电沉积枝晶生长的模拟[J]. 计算物理, 2006, 23(4): 499-504.
[4]	王克纲, SIEPMANN I. Gibbs Ensemble Monte-Carlo方法及其应用[J]. 计算物理, 2000, 17(4): 455-458.
[5]	刘英, 聂向富. 晶体C₆₀取向相变的Monte-Carlo研究[J]. 计算物理, 1997, 14(S1): 535-536,534.
[6]	王治虎, 罗孟波, 许健民. 规整星型高分子回转半径的几率分布[J]. 计算物理, 1997, 14(S1): 561-561,560.
[7]	鲁武, 顾宁, 陆祖宏, 韦钰. 电子束在LB抗蚀层及衬底中散射轨迹的Monte－Carlo模拟[J]. 计算物理, 1994, 11(3): 297-302.