期刊
FERROELECTRICS
卷 284, 期 -, 页码 205-219出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00150190390204691
关键词
ScF3; high pressure; phase transitions; Raman scattering; ab initio lattice dynamics
New pressure-induced phases are found in normally cubic ScF3 crystal using polarizing microscopy and micro-Raman spectroscopy. Their supposed space groups are R (3) over barc, Z = 2 and Pnma, Z = 4. Using ab initio model cubic phase was shown to be stable at ambient pressure down to T = 0 K, while hydrostatic pressure brings one of the phonon branches down to negative squared frequencies. R-5 soft mode condensation results in the rhombohedric distortion of the cubic lattice with cell volume doubling. Calculated squared frequencies of the high pressure phase are positive, their number and values agree with experimental results.
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