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Ionicity scale and piezoelectricity of crystals with zincblende- and wurtzite-type structure
Authors:Mitiko Miura  Huromu Murata  Yuji Shiro  Kazuaki Iishi
Institution:Department of Chemistry, Faculty of Science, Hiroshima University, Hiroshima 730, Japan;Faculty of the School of Education, Hiroshima University, Hiroshima 734, Japan;Department of Mineralogical Science and Geology, Faculty of Science, Yamaguchi University, Yamaguchi, Japan
Abstract:We have tried to determine the ionicity of crystals with a dynamical effective ionic charge defined by the observed TO-LO splitting. We find excellent agreement between our results and the ionicity scale derived by Phillips from band gap theory. We confirm that the observed piezoelectric constants can be well accounted for on the basis of the Born lattice-dynamical treatment by adding the concept of charge transfer, and we have made an estimate of the latter.
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