Magic numbers of multivacancy in crystalline Si: Tight-binding studies for the stability of the multivacancy

被引：22

作者：

Akiyama, T ^{[1
]}

Oshiyama, A

Sugino, O

机构：

[1] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 3050871, Japan

[2] NEC Corp Ltd, Fundamental Res Labs, Tsukuba, Ibaraki 3058501, Japan

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 1998年 / 67卷 / 12期

关键词：

multivacancy; formation energy; lattice relaxation; dangling bonds; dissociation energy; binding energy; pairing distortion;

D O I：

10.1143/JPSJ.67.4110

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We perform microscopic total-energy calculations based on a transferable tight-binding model combined with conjugate-gradient minimization technique for various multivacancies V-n in Si. We find that stable multivacancies (magic numbers of negative Si clusters) are V-6, V-10, V-14, V-17, V-22, V-26 and V-35. We also find that Loth topological networks of vacant sites and relaxation of surrounding atoms are crucial to determine energetics of the multivacancies.

引用

页码：4110 / 4116

页数：7

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