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Volume 36 Issue 5
Oct 2022
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Chinese Journal of High Pressure Physics  > 2022  >  36(5): 051101.
GAO Juan, LIU Qijun, JIANG Chenglu, FAN Daihe, ZHANG Miao, LIU Fusheng, TANG Bin. Criteria of Mechanical Stability of Seven Crystal Systems and Its Application: Taking Silica as an Example[J]. Chinese Journal of High Pressure Physics, 2022, 36(5): 051101. doi: 10.11858/gywlxb.20220575
Citation: GAO Juan, LIU Qijun, JIANG Chenglu, FAN Daihe, ZHANG Miao, LIU Fusheng, TANG Bin. Criteria of Mechanical Stability of Seven Crystal Systems and Its Application: Taking Silica as an Example[J]. Chinese Journal of High Pressure Physics, 2022, 36(5): 051101. doi: 10.11858/gywlxb.20220575
shu

Criteria of Mechanical Stability of Seven Crystal Systems and Its Application: Taking Silica as an Example

doi: 10.11858/gywlxb.20220575
  • 1.

    School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, Sichuan, China

  • 2.

    College of Water Conservancy and Hydropower Engineering, Sichuan Agricultural University, Ya’an 625014, Sichuan, China

  • 3.

    School of Materials, Northwestern Polytechnical University, Xi’an 710072, Shaanxi, China

  • Received Date: 05 May 2022
  • Rev Recd Date: 19 May 2022
  • Accepted Date: 19 May 2022
    • Available Online: 11 Oct 2022
  • Issue Publish Date: 11 Oct 2022
    Abstract
  • According to the positive definiteness of the quadratic type, and based on the mechanical stability criteria derived by Mouhat and Coudert, the mechanical stability criteria of monoclinic and triclinic crystal systems are supplemented. The mechanical stability criteria of the seven crystal systems are given. Based on the density functional theory of the first principle method, the elastic constants of nine kinds of SiO2 belonging to different crystal systems are calculated. Combined with the mechanical stability criteria, the stabilities of SiO2 in different space groups, including cubic P213, hexagonal P63/mmc, trigonal P3121 and $R\overline 3 $, tetragonal P41212 and $I\overline 4 $, orthorhombic Pbcn, monoclinic P21/c, and triclinic $P\bar 1$, are determined. The calculated results show that the nine types of SiO2 are all mechanically stable at 0 GPa.

     

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