• Journal of Inorganic Materials
  • Vol. 35, Issue 8, 889 (2020)
Xiuyu ZHANG1, Xiaofei CHEN2, Hao WANG1, Xun GUO1, and Jianming XUE1、*
Author Affiliations
  • 1State Key Laboratory of Nuclear Physics and Technology, Peking University, Beijing 100871, China
  • 2China Institute of Nuclear Information and Economics, Beijing 100048, China
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    DOI: 10.15541/jim20190472 Cite this Article
    Xiuyu ZHANG, Xiaofei CHEN, Hao WANG, Xun GUO, Jianming XUE. Molecular Dynamics Analysis of Chemical Disorders Induced by Irradiated Point Defects in 6H-SiC[J]. Journal of Inorganic Materials, 2020, 35(8): 889 Copy Citation Text show less

    Abstract

    To cooperate with studying the influence of chemical disorder on the conductivity of 6H-SiC, the linear collision cascade of 6H-SiC was simulated by the classical molecular dynamics with LAMMPS. Evolution process of main point defects in 6H-SiC during single linear cascade collision and multiple linear cascade collisions under different energy and different types of PKA (Primary Knock-on Atom) is given, while chemical disorder and the final proportion of each of the point defects are counted. The results show that the Si-Si bond generated by the linear cascade collision is easier to form and more stable than the C-C bond. The Si-Si bond is mainly formed by the antisite defect SiC, the C-C bond is mainly formed by the C-interstitial cluster. Their chemical disorder and point defect yield are affected by the type and initial energy of PKA. However, the proportion of each point defect is almost unchanged.
    Xiuyu ZHANG, Xiaofei CHEN, Hao WANG, Xun GUO, Jianming XUE. Molecular Dynamics Analysis of Chemical Disorders Induced by Irradiated Point Defects in 6H-SiC[J]. Journal of Inorganic Materials, 2020, 35(8): 889
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