SEMICONDUCTOR-SURFACE RESTORATION BY VALENCE-MENDING ADSORBATES - APPLICATION TO SI(100)-S AND SI(100)-SE

被引：106

作者：

KAXIRAS, E ^{[1
]}

机构：

[1] SACHS FREEMAN ASSOCIATES INC, LANDOVER, MD 20785 USA

来源：

PHYSICAL REVIEW B | 1991年 / 43卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.43.6824

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A set of criteria is proposed for choosing adsorbates that can lead to restoration of the ideal bulk-terminated geometry on semiconductor surfaces. Two systems, Si(100):S and Si(100):Se, which are likely to fulfill the surface-restoration criteria are investigated in detail through first-principles calculations. These restored surfaces are energetically stable against structural changes such as embedding the adsorbates in subsurfaces sites.

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页码：6824 / 6827

页数：4

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