硅中90°不全位错的周期加倍结构
材料科学
2009-10-30 v1
摘要
我们提出，硅中90°不全位错普遍接受的芯结构可能不正确，并提出了一个周期加倍的结构。我们给出了LDA、紧束缚和经典Keating模型计算，所有这些都表明周期加倍结构能量更低。新结构除了周期加倍外，还表现出破缺的镜面对称性，导致了多种可能的类孤子缺陷和扭折。
引用
@article{arxiv.cond-mat/9704079,
title = {A period-doubled structure for the 90-degree partial dislocation in silicon},
author = {J. Bennetto and R. W. Nunes and David Vanderbilt},
journal= {arXiv preprint arXiv:cond-mat/9704079},
year = {2009}
}
备注
4 pages, two-column style with 3 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#jb_dis