Monte Carlo Study of the Soft-Core Model for α-AgI

• Hiwatari Yasuaki

  Department of Physics, Faculty of Science, Kanazawa University

• Ueda Akira

  Department of Applied Mathematics and Physics, Faculty of Engineering, Kyoto University

書誌事項

タイトル別名

• Monte Carlo Study of the Soft Core Mode

抄録

A simple version for superionic conductors, of the soft-core model for simple liquids is proposed. That is, the model potential is composed of only the soft-core and the Coulomb potentials. Monte Carlo simulations for α-AgI are made with a fine-grained lattice for a 108-ion system at several temperatures. Sublattice disordering of cations is observed for an appropriate temperature range. At lower temperature the bcc lattice of anions becomes unstable and changes to an fcc-like structure, and at the same time cations show almost localized motions. These results are consistent with the experiments for AgI. The characteristics of the resulting structural properties for cations are also found to be consistent with the recent experimental results.

収録刊行物

• Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ

  Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ 48 (3), 766-772, 1980

  一般社団法人 日本物理学会

キーワード

• General Physics and Astronomy

詳細情報

• CRID: 1390282679160919424
• NII論文ID: 110001964813
• NII論文ID: 130003896319
• NII論文ID: 210000088700
• NII書誌ID: AA00704814
• DOI: 10.1143/jpsj.48.766
• BIBCODE: 1980JPSJ...48..766H
• COI: 1:CAS:528:DyaL3cXitVektr8%3D
• ISSN: 13474073
• ISSN: 00319015
• NDL書誌ID: 2171600
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I2171600
• Web Site: http://journals.jps.jp/doi/pdf/10.1143/JPSJ.48.766
• 本文言語コード: en
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