Beyond the Rigid-Ion Approximation with Spherically Symmetric Ions

Authors

L. L. Boyer, Naval Research Laboratory, Washington, D. C.
M. J. Mehl, Naval Research Laboratory, Washington, D. C.
J. L. Feldman, Naval Research Laboratory, Washington, D. C.
John R. Hardy, University of Nebraska - LincolnFollow
J. W. Flocken, University of Nebraska at Omaha, Omaha, Nebraska
C. Y. Fong, University of California at Davis, Davis, California

Date of this Version

4-29-1985

Comments

Published in Phys. Rev. B VOLUME 54, NUMBER 17, 29 APRIL 1985. Copyright © 1985 The American Physical Society. Used by permission.

Abstract

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.