Lattice dynamical analysis of MgO.
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概要
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The lattice dynamical properties of MgO are studied using a model based on the Birman method, which is different from the conventional point-like atom model. The model includes three kinds of forces: the short-range, the long-range Coulomb, and the long-range polarization interactions. The long-range interactions are dependent on the magnitude of the expansion of the electron distribution. The degrees of the expansion for Mg and O (<I>w</I><SUB>Mg</SUB> and <I>w</I><SUB>O</SUB>) are estimated from the X-ray data. The calculated phonon dispersion curves agree with the observed curves in the case of <I>w</I><SUB>Mg</SUB>=0.35 Å and <I>w</I><SUB>O</SUB>=0.73 Å, which are nearly equal to the estimated values, 0.35 and 0.65 Å.
- 公益社団法人 日本化学会の論文
著者
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Murata Hiromu
Department of Chemistry, Faculty of Science, Hiroshima University
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Miura Mitiko
Department of Chemistry, Faculty of Science, Hiroshima University
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