DIFFUSION PATH FOR AN AL ADATOM ON AL(001)

被引：337
作者：
FEIBELMAN, PJ
机构：
来源：
PHYSICAL REVIEW LETTERS | 1990年 / 65卷 / 06期
关键词：
D O I：
10.1103/PhysRevLett.65.729
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The barrier to self-diffusion on Al(001) by concerted displacement in a 100 or 010 direction is predicted to be smaller than 1/3 that for ordinary Al-adatom hopping over bridges between fourfold hollows. The transition state for the concerted motion corresponds to an Al ad-dimer symmetrically located above a surface site vacated by one of the dimer atoms. Covalent bonding in this configuration is favorable because each of the (trivalent) Al atoms above the surface bonds to the other, and to two surface atoms. © 1990 The American Physical Society.
引用
收藏
页码：729 / 732
页数：4
相关论文
共 17 条
[11]  
MOORE CE, 1949, NBS467 CIRC, V1
[12]   DIFFUSION WITHOUT VACANCIES OR INTERSTITIALS - A NEW CONCERTED EXCHANGE MECHANISM [J].
PANDEY, KC .
PHYSICAL REVIEW LETTERS, 1986, 57 (18) :2287-2290
[13]   SELF-INTERACTION CORRECTION TO DENSITY-FUNCTIONAL APPROXIMATIONS FOR MANY-ELECTRON SYSTEMS [J].
PERDEW, JP ;
ZUNGER, A .
PHYSICAL REVIEW B, 1981, 23 (10) :5048-5079
[14]  
TUNG R, 1980, THESIS U PENNSYLVANI
[15]   SINGLE ATOM SELF-DIFFUSION ON NICKEL SURFACES [J].
TUNG, RT ;
GRAHAM, WR .
SURFACE SCIENCE, 1980, 97 (01) :73-87
[16]   GREEN-FUNCTION METHODS FOR ELECTRONIC-STRUCTURE CALCULATIONS [J].
WILLIAMS, AR ;
FEIBELMAN, PJ ;
LANG, ND .
PHYSICAL REVIEW B, 1982, 26 (10) :5433-5444
[17]   SURFACE-DIFFUSION BY AN ATOMIC EXCHANGE MECHANISM [J].
WRIGLEY, JD ;
EHRLICH, G .
PHYSICAL REVIEW LETTERS, 1980, 44 (10) :661-663
12