Journal of Inorganic Materials, Volume. 35, Issue 8, 889(2020)

Molecular Dynamics Analysis of Chemical Disorders Induced by Irradiated Point Defects in 6H-SiC

Xiuyu ZHANG1... Xiaofei CHEN2, Hao WANG1, Xun GUO1 and Jianming XUE1,* |Show fewer author(s)
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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    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.

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    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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    Paper Information

    Category: RESEARCH PAPER

    Received: Sep. 10, 2019

    Accepted: --

    Published Online: Mar. 15, 2021

    The Author Email: XUE Jianming (jmxue@pku.edu.cn)

    DOI:10.15541/jim20190472

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