Interionic Potentials Based on the Charge-Transfer Model for Ionic and Partially Ionic Substances.I.Alkali Halides
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概要
- 論文の詳細を見る
A new model is presented for interionic potentials between alkali and halogen ionsin which charge-transfer (CT) excitation from an anion to a cation is taken into ac-count. The experimental molecular constants of twenty alkali halide molecules havebeen used to determine the contribution of the overlap repulsion and the CT interac-lion. The resulting potentials can reproduce cohesive properties of the correspondingsolids well, such as crystal structure, lattice constant, and cohesive energy. The resultsare discussed compared with the traditional Born-Mayer theory and the shell model.
- 社団法人日本物理学会の論文
- 1987-01-15
著者
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NAGASAKA Shin-ichiro
Department of Physics, Faculty of Science, Yamagata University
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Kojima Tadanobu
Department Of Physics Faculty Of Science Osaka University
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Nagasaka Shin-ichiro
Department Of Physics Faculty Of Science Yamagata University
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Nagasaka Shin-ichiro
Department Of Physics Yamagata University
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