Period-doubled structure for the 90 degrees partial dislocation in silicon

被引:119
作者
Bennetto, J
Nunes, RW
Vanderbilt, D
机构
[1] USN,RES LAB,COMPLEX SYST THEORY BRANCH,WASHINGTON,DC 20375
[2] GEORGE MASON UNIV,INST COMPUTAT SCI,FAIRFAX,VA
基金
美国国家科学基金会;
关键词
D O I
10.1103/PhysRevLett.79.245
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We suggest that the commonly accepted core structure of the 90 degrees partial dislocation in Si may not be correct, and propose instead a period-doubled structure. We present local-density approximation, tight-binding, and classical Keating-model calculations, all of which indicate that the period-doubled structure is lower in energy. The new structure displays a broken mirror symmetry in addition to the period doubling, leading to a wide variety of possible solitonlike defects and kinks.
引用
收藏
页码:245 / 248
页数:4
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