Electronic States and Chemical Bondings of an Interstitial Cation in Ionic Compounds AgCl and NaCl

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概要

• 論文の詳細を見る

• We have performed the electronic structure calculation of an interstitial cationic defect in AgCland Nail crystals, using the DV-Xa molecular orbital method. Ag-4d o?'bitals are well admixedwith Cl-37t orbitals in the valence band, and the electronic strtrcttrre of AgC1 is quite differentfrom that of Nail. The cation-anion covalent bonding in AgCl is stronger than that in Nail.In addition, it is found that an interstitial Ag has a considerably strong covalent bonding withits surrounding Ag because of the interaction between Ag-4d orbitals. Such a covalent bondingbetween Ag ions is likely to play an important role for the stabilization of an interstitial Ag inAgCl.

• 社団法人日本物理学会の論文
• 1996-11-15

著者

• TANAKA Isao

  Department of materials science and engineering, Kyoto University

• ADACHI Hirohiko

  Department of materials science and engineering, Kyoto University

• Tanaka Isao

  Department Of Materials Science And Engineering Kyoto University

• Tanaka I

  Division Of Biological Science Graduate School Of Science Hokkaido University

• Adachi H

  Kyoto Univ. Kyoto

• Adachi Hirohiko

  Department Of Material Science And Engineering Kyoto University

• Matsunaga Katsuyuki

  Department Of Materials Science And Engineering Kyoto University

• Adachi H

  Department Of Physics Kyoto University

• Adachi H

  Central Research Laboratories Matsushita Electric Ind. Co.

• Matsunaga K

  Kyoto Univ. Kyoto Jpn

• Tanaka I

  Fukui Prefecture Agricultural Experiment Station Fukui Jpn

• Adachi Hirohiko

  Department Of Chemistry Hyogo University Of Teacher Education

• Tanaka Isao

  Department Of Internal Medicine Suzuka Kaisei Hospital

• Adachi Hirohiko

  Department of Materials Science and Engineering,Kyoto University

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