Atomic Structure and Diffusion in Amorphous Si-B-C-N by Molecular Dynamics Simulation

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We carried out molecular dynamics simulation of amorphous silicon nitride containing boron and carbon, in order to investigate the short-range atomic arrangement and diffusion behavior. In amorphous Si–B–N, boron atoms are in a nearly threefold coordinated state with nitrogen atoms, while boron atoms in amorphous Si–B–C–N have bonding with both carbon and nitrogen atoms. Carbon atoms in Si–B–C–N are also bonded to silicon atoms. The self-diffusion constant of nitrogen in Si–B–N becomes much smaller than that in amorphous Si<SUB>3</SUB>N<SUB>4</SUB>. Also, amorphous Si–B–C–N exhibits smaller self-diffusion constants of constituent atoms, even compared to Si–B–N. Addition of boron and carbon is important in decreasing atomic mobility in amorphous Si–B–C–N. This may explain the increased thermal stability of the amorphous state observed experimentally.

収録刊行物

  • Materials transactions

    Materials transactions 43(7), 1506-1511, 2002-07-01

    公益社団法人 日本金属学会

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各種コード

  • NII論文ID(NAID)
    10012324984
  • NII書誌ID(NCID)
    AA1151294X
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    13459678
  • NDL 記事登録ID
    6240228
  • NDL 雑誌分類
    ZP41(科学技術--金属工学・鉱山工学)
  • NDL 請求記号
    Z53-J286
  • データ提供元
    CJP書誌  NDL  J-STAGE 
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