Si(7 7 17)-2×1表面银纳米线自组装过程的Monte-Carlo模拟  

Monte-carlo simulations of Ag nano-wire self-assembling processes on Si(7 7 17)-2×1 surface

作　　者：张晋[1] 曾立[1] 丁涛[1] 马余全[1] 陈永康[1] 

机构地区：[1]云南大学物理系,云南昆明650091

出　　处：《云南大学学报（自然科学版）》2005年第6期527-531,共5页Journal of Yunnan University(Natural Sciences Edition)

基　　金：国家自然科学基金资助项目(60261004;60361001);云南省自然科学基金资助项目(2002E0008M)

摘　　要：根据紧束缚理论和Si(7 7 17)-2×1表面的原子结构模型,运用蒙特卡洛方法模拟蒸发沉积在Si(7 7 17)-2×1表面的Ag原子经2次退火自组装成纳米线的实验过程.模拟结果表明,退火温度及作为模板的硅表面排状结构对银纳米线的自组装有较大影响;在退火过程中,Ag原子沿Si(7 7 17)-2×1表面原子沟槽扩散,并吸附在该表面的四聚体链上形成一维纳米线,这与实验结果相符合.Base on the atom structure model of Si（7 7 17） - 2×1 surface and the tight - binding scheme, Monte - Carlo method was employed to simulate Ag diffusions on Si（7 7 17） - 2×1 surface during annealing processes for Ag nano- wire self - assembling. As a simulation result, Ag self- assembling process was mainly affected by the temperature of Ag/Si system and the atom arrangement of Si substrate as a template. Ag nano- wires were growing along the tetramer row with Ag atoms diffusing along atomic channels of the surface during annealing processes. It was a good agreement with experimental findings.

关 键 词：Monte—Carlo模拟 紧束缚理论 Si(7 7 17)-2×1表面 一维纳米线 自组装 

分 类 号：O485[理学—固体物理]