Cu原子在表面台阶扩散的Ehrlich-Schwoebel势垒的计算  

CALCULATION OF EHRLICH-SCHWOEBEL BARRIER WHEN AN ADATOM Cu DIFFUSING DOWN THE STEP

作　　者：李佳阳[1] 李融武[1] 刘绍军[1] 

机构地区：[1]北京师范大学物理学系,北京100875

出　　处：《北京师范大学学报（自然科学版）》2005年第5期484-487,共4页Journal of Beijing Normal University(Natural Science)

基　　金：国家自然科学基金资助项目(60471034)

摘　　要：利用分子动力学中的静态结构弛豫方法对Cu原子在面心立方铜的台阶表面扩散过程中的Ehrlich-Schwoebel(ES)势垒进行了模拟计算,研究了二维和三维ES势垒的差别,并将Cu与面心立方Al的结果进行了比较.结果表明:1)与Al相似,Cu的二维和三维ES势垒存在明显的差别;三维ES势垒随着台阶高度的增加而增加,最终趋于定值,定值的大小及其ES势垒从二维到三维的转变与台阶的类型有关.2)对于某些情况,Cu的ES势比同种情况下Al的ES势小.The Ehrlich-Schwoebel （ES） barriers of an adatom Cu diffusing down an island of fee Cu are calculated by molecular dynamical simulation. The two-dimensional （2D） and three-dimensional （3D） ES barriers are calculated and compared with the results of A1. The results show that： 1）There are substantial differences between the 2D and 3D ES barriers of Cu, this is similar to the results of AI~ The 3D ES barriers increase with the step thickness and the transition completes in certain monolayers, which is related to the type of the step. 2）In some circumstances, the ES barriers of Cu are lower than the ES barriers of A1, which may lead to the layer-by-layer growth.

关 键 词：Ehrlich-Schwoebel势垒 表面原子扩散 分子动力学模拟 

分 类 号：O484[理学—固体物理]