期刊
PHYSICAL REVIEW LETTERS
卷 90, 期 12, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.90.125502
关键词
-
We elucidate the structural properties of amorphous SiSe2 by first-principles molecular dynamics. The calculated structure factor is in very good agreement with experiments, as well as the number of corner- and edge-sharing tetrahedra. By focusing on the sequences of Si atoms linked via intra- and intertetrahedral bonds, we identify the predominant structural motifs. The sequences involving both corner- and edge-sharing connections are significantly more frequent than those formed exclusively by edge-shared Si atoms. Our results clarify a longstanding controversy on the structure of this prototypical disordered network-forming material.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据