POINT-DEFECT STRUCTURES AND ENERGETICS IN SI USING AN EMPIRICAL POTENTIAL

被引：7

作者：

UNGAR, PJ ^{[1
]}

TAKAI, T ^{[1
]}

HALICIOGLU, T ^{[1
]}

TILLER, WA ^{[1
]}

机构：

[1] STANFORD UNIV,DEPT MAT SCI & ENGN,STANFORD,CA 94305

来源：

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS | 1993年 / 11卷 / 01期

关键词：

D O I：

10.1116/1.578707

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Statics calculations on silicon using the Tersoff 2 and Tersoff 3 potential energy functions are presented. We have evaluated the following at 0 K: (1) neutral monovacancy and divacancy formation and migration energies; (2) neutral bond-centered, site sharing, tetrahedral, and hexagonal self-interstitial formation and migration energies; and (3) the variation of these energies with distance from a bulk site of Frenkel defect formation and from [100] and [111] surfaces. The structural variations around these defects are also determined and discussed.

引用

页码：224 / 230

页数：7

共 16 条

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