Reconstruction energies of partial dislocations in cubic semiconductors

被引：11

作者：

Beckman, S. P. ^{[1
]}

Chrzan, D. C. ^{[2
,3
]}

机构：

[1] Univ Texas Austin, Inst Computat Engn & Sci, Dept Phys & Chem Engn, Ctr Computat Mat, Austin, TX 78712 USA

[2] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA

[3] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA

来源：

PHYSICAL REVIEW B | 2007年 / 76卷 / 14期

关键词：

D O I：

10.1103/PhysRevB.76.144110

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The relative stability of the single period and double period reconstructions in the 90 degrees partial dislocation core is investigated across the cubic-semiconductor family. The effect of pressure on the phase stability is investigated for the elemental semiconductors. The relative phase stability of the reconstructions is correlated to the bulk crystal's propensity for bond bending versus bond stretching. It is observed that when the Kleinman parameter [Phys. Rev. 128, 2614 (1962)] of a crystal is less than 0.6, the double period reconstruction is favored.

引用

页数：5

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