Theoretical Study on the Pressure-Induced Instability of the B1 structure of Ionic Materials

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The stability of the B1 structure of the binary ionic compounds under high pressure has been studied theoretically, applying the density-functional formalism to AgCl, which exhibits the phase transition from the B1 to KOH-type structure. The result is that the ground state properties and the phase transition are described quite accurately. The difference in the stability of the B1 structure of AgCl and NaCl was discussed based on the atomic structure of cations.

収録刊行物

  • 高圧力の科学と技術 = The Review of high pressure science and technology

    高圧力の科学と技術 = The Review of high pressure science and technology 7, 169-171, 1998

    The Japan Society of High Pressure Science and Technology

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各種コード

  • NII論文ID(NAID)
    10002689232
  • NII書誌ID(NCID)
    AN10452913
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    0917639X
  • NDL 記事登録ID
    4493871
  • NDL 雑誌分類
    ZP1(科学技術--化学・化学工業)
  • NDL 請求記号
    Z17-1589
  • データ提供元
    CJP書誌  NDL  J-STAGE 
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