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Beyond The Rigid-Ion Approximation With Spherically Symmetric Ions, L. L. Boyer, M. J. Mehl, J. L. Feldman, John R. Hardy, C. Y. Fong
Beyond The Rigid-Ion Approximation With Spherically Symmetric Ions, L. L. Boyer, M. J. Mehl, J. L. Feldman, John R. Hardy, C. Y. Fong
Physics Faculty Publications
Ab initio calculations show that a spherically symmetric charge relaxation of ions in a crystal, in response to the long-range electrostatic potential, is important for understanding the splitting between longitudinal- and transverse-optic-mode frequencies, and the violation of the Cauchy relations among elastic constants.