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  • 标题:First principles calculation of the nonhydrostatic effects on structure and Raman frequency of 3C-SiC
  • 本地全文:下载
  • 作者:Liu Lei ; Yi Li ; Liu Hong
  • 期刊名称:Scientific Reports
  • 电子版ISSN:2045-2322
  • 出版年度:2018
  • 卷号:8
  • 期号:1
  • 页码:11279
  • DOI:10.1038/s41598-018-29666-2
  • 语种:English
  • 出版社:Springer Nature
  • 摘要:appeared in the Raman spectra except for the LO and TO lines because of the reduction of structure symmetry. However the frequencies and pressure dependences of the four Raman modes remain unchanged under different nonhydrostatic stresses. Appearance of new Raman modes under nonhydrostatic stress and the linear relationship of the differences of lattice constants under hydrostatic and nonhydrostatic stresses with differential stress can be used to indicate state of stress in high pressure experiments. The effect of nonhydrostatic stress on materials under high pressure is complicated and our calculation would help to understanding state of stress at high pressure experiments.
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