DIFFUSION MECHANISM OF CU ADATOMS ON A CU(001) SURFACE

被引：46

作者：

LEE, C

BARKEMA, GT

BREEMAN, M

PASQUARELLO, A

CAR, R

机构：

[1] PHB ECUBLENS, INST ROMAND RECH NUMER & PHYS MAT, CH-1015 LAUSANNE, SWITZERLAND

[2] UNIV GENEVA, DEPT CONDENSED MATTER PHYS, CH-1211 GENEVA, SWITZERLAND

[3] UNIV GRONINGEN, CTR MAT SCI, 9747 AG GRONINGEN, NETHERLANDS

来源：

SURFACE SCIENCE | 1994年 / 306卷 / 03期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0039-6028(94)90069-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Ab initio calculations on surface diffusion of Cu adatoms on Cu(001) are presented. The hopping mechanism with a calculated energy barrier of 0.69 eV is found to be favorable over the exchange mechanism with 0.97 eV. We find from the geometry relaxations that adatoms are significantly attracted to the surface and push away nearest-neighbor atoms in the surface. Lateral relaxations of atoms in the surface are larger than vertical ones.

引用

页码：L575 / L578

页数：4

共 19 条

[1] MIGRATION OF CU ADATOMS ON A CU(100) SURFACE, STUDIED WITH LOW-ENERGY ION-SCATTERING (LEIS) [J].