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Coulomb interactions and optically-active vibrations of Ionic crystals—I: Theory and application to NaNO3 |
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| Authors: | Akio Yamamoto Tamaki Utida Hiromu Murata Yuji Shiro |
| Affiliation: | Department of Chemistry, Faculty of Science, Hiroshima University, Higashisenda-machi, Hiroshima 730, Japan;Shinonome Branch School, Faculty of Education, Hiroshima University, Shinonome-3-chome, Hiroshima 734, Japan |
| Abstract: | A method is given for polarizable-ion model calculations of optically-active vibration frequencies of ionic crystals together with an illustrative application. Frequency splittings originating from Coulomb interactions between induced dipoles are explained satisfactorily by the calculations. Important discrepancies remaining in rigid-ion treatments are considerably reduced by taking into account the electronic polarizabilities. Some effects of anisotropy of the ionic polarizabilities on crystal vibrations are discussed briefly. |
| Keywords: | To whom correspondence should be addressed. |
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