Diffusion Mechanism of Ag ions in Superionic Conductor Ag_2Se from Ab Initio Molecular-Dynamics Simulations(Condensed Matter : Structure, Mechanical and Thermal Properties)
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概要
- 論文の詳細を見る
The dynamic properties of mobile Ag ions in the superionic conductor Ag_2Se are studied by ab initio molecular-dynamics simulations. The population analysis including the gross charge and the overlap population shows that the bonding properties of Ag ions change accompanied with the diffusive motion. By investigating the displacement-correlation functions between Ag ions, it is clarified that Ag ions exhibit a collective motion with their neighbor Ag ions when they migrate between neighboring tetrahedral sites.
- 社団法人日本物理学会の論文
- 2005-04-15
著者
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Shimojo Fuyuki
Department Of Physics Faculty Of Science Kumamoto University
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Aniya Masaru
Department Of Engineering Science Faculty Of Engineering Hokkaido University
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Shimojo Fuyuki
Kumamoto Univ. Kumamoto
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