1ST-PRINCIPLES STUDY OF SULFUR PASSIVATION OF GAAS(001) SURFACES

被引：165

作者：

OHNO, T ^{[1
]}

SHIRAISHI, K ^{[1
]}

机构：

[1] NIPPON TELEGRAPH & TEL PUBL CORP, MUSASHINO ELECT COMMUN LAB, BASIC RES LABS, MUSASHINO, TOKYO 180, JAPAN

来源：

PHYSICAL REVIEW B | 1990年 / 42卷 / 17期

关键词：

D O I：

10.1103/PhysRevB.42.11194

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The structural and electronic properties of Ga- and As-terminated GaAs(001)-(1×1) surfaces adsorbed with a monolayer of sulfur have been investigated by using the ab initio pseudopotential method. We found that S atoms adsorb on the bridge site on both GaAs surfaces. It is shown that the surface-state density within the GaAs energy gap is markedly reduced by the S adsorption on the Ga-terminated surface. The reduction of surface states is not found at the As-terminated surface, since an As-S antibonding state appears within the gap. The mechanism of the S passivation has been investigated. © 1990 The American Physical Society.

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页码：11194 / 11197

页数：4

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