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Three-Body-Force Shell Model and the Lattice Dynamics of Magnesium Oxide

Three-Body-Force Shell Model and the Lattice Dynamics of Magnesium Oxide The expression for the three-body potential in ionic solids, derived quantum mechanically by Lundqvist, has been obtained classically by assuming a deformation in the charge-density distribution due to overlap of the nearest-neighbor electron cloud. A reexamination of the effect of this potential on the lattice dynamics of ionic solids has revealed an error in the original formulation of the so-called three-body-force shell model which has now been eliminated. The application of the corrected equations to MgO, with only the oxygen ion assumed polarizable, results in disperison curves which present a good agreement with the neutron spectroscopic data. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Three-Body-Force Shell Model and the Lattice Dynamics of Magnesium Oxide

Physical Review B , Volume 8 (10) – Nov 15, 1973
5 pages

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Publisher
American Physical Society (APS)
Copyright
Copyright © 1973 The American Physical Society
ISSN
1095-3795
DOI
10.1103/PhysRevB.8.4880
Publisher site
See Article on Publisher Site

Abstract

The expression for the three-body potential in ionic solids, derived quantum mechanically by Lundqvist, has been obtained classically by assuming a deformation in the charge-density distribution due to overlap of the nearest-neighbor electron cloud. A reexamination of the effect of this potential on the lattice dynamics of ionic solids has revealed an error in the original formulation of the so-called three-body-force shell model which has now been eliminated. The application of the corrected equations to MgO, with only the oxygen ion assumed polarizable, results in disperison curves which present a good agreement with the neutron spectroscopic data.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Nov 15, 1973

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