ADSORPTION OF AS ON STEPPED SI(100) - RESOLUTION OF THE SUBLATTICE-ORIENTATION DILEMMA

被引：40

作者：

ALERHAND, OL

WANG, J

JOANNOPOULOS, JD

KAXIRAS, E

BECKER, RS

机构：

[1] MIT,DEPT PHYS,CAMBRIDGE,MA 02139

[2] USN,RES LAB,COMPLEX SYST THEORY BRANCH,WASHINGTON,DC 20375

[3] AT&T BELL LABS,MURRAY HILL,NJ 07974

[4] SACHS FREEMAN ASSOCIATES INC,LANDOVER,MD 20785

来源：

PHYSICAL REVIEW B | 1991年 / 44卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.44.6534

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

First-principles calculations are used to investigate the energetics of an As overlayer adsorbed on a stepped Si(100) surface. We show that the growth of As directly on top of the Si surface produces a metastable structure, while the replacement of the original top Si layer by As leads to a lower-energy configuration. In the latter case, the rearrangement of the surface is driven by the relaxation of stress by surface steps. This result explains the sublattice-orientation dilemma in GaAs-on-Si heteroepitaxy.

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收藏

页码：6534 / 6537

页数：4

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