Mixed SiGe ad-dimer on Si(001): diffusion triggers intermixing

被引：13

作者：

Lu, ZY

Wang, CZ ^{[1
]}

Ho, KM

机构：

[1] Iowa State Univ Sci & Technol, Ames Lab, US DOE, Ames, IA 50011 USA

[2] Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA

来源：

SURFACE SCIENCE | 2002年 / 506卷 / 03期

关键词：

density functional calculations; scanning tunneling microscopy; diffusion and migration; silicon; low index single crystal surfaces;

D O I：

10.1016/S0039-6028(02)01496-6

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：

Recent experiment discovered an interesting reversible intermixing process involving the exchange of the Ge atom in an adsorbed SiGe dimer with a substrate Si atom on the Si(001) surface [Phys. Rev. Lett. 85 (2000) 3660]. We have performed first-principles total energy calculations to study the atomistic mechanisms of diffusion and intermixing in this system. Our calculation suggests that intermixing is triggered by the diffusion of the ad-dimer on the surface. The energy barriers for the diffusion and intermixing events obtained from our calculations are in good agreement with experiment. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：L282 / L286

页数：5

共 25 条

[1] SI BINDING AND NUCLEATION ON SI(100) [J].