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

被引:105
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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