期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 17, 期 12, 页码 1851-1859出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/17/12/009
关键词
-
We present calculations of the high pressure crystal structures in selenium, including rational approximants to the recently reported incommensurate phases. We show how the incommensurate phases can be intuitively explained in terms of imaginary phonon frequencies arising from Kohn anomalies in the putative undistorted phase. We also find inconsistencies between the calculated and experimental Se II phase-the calculations show it to be a metastable metal while the experiment finds a stable semiconductor. We propose that the experimentally reported structure is probably in error.
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