Energetics of boron and phosphorus as substitutional dopants at the Si(100)-2x1 surface

被引：0
|
作者：
Zavodinsky, VG
Kuyanov, IA
Chukurov, EN
机构：
[1] Russian Acad Sci, Inst Automat & Control Proc, Far Eastern Branch, Vladivostok 690041, Russia
[2] Far Eastern State Univ, Vladivostok 690600, Russia
来源：
PHYSICS OF LOW-DIMENSIONAL STRUCTURES | 1998年 / 9-10卷
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中图分类号：
O59 [应用物理学];
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摘要：
The AM1 semiempirical method combined with the geometry optimization procedure was used to study the energetics of active impurities (B, P) in substitutional positions at the Si(100)-2 x 1 surface. It has been found that phosphorus prefers to be in the first layer (in dimers). Boron has the lowest energy in the second layer. Energy gain counting from the fourth bulk-like layer is 1.33 eV and 0.56 eV for B and P, respectively.
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页码：127 / 132
页数：6
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