Three-Body-Force Shell Model and the Lattice Dynamics of Magnesium Oxide
- 15 November 1973
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 8 (10), 4880-4884
- https://doi.org/10.1103/physrevb.8.4880
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.Keywords
This publication has 15 references indexed in Scilit:
- Lattice dynamics of rubidium halidesJournal of Physics C: Solid State Physics, 1972
- Lattice dynamics of LiH, LiF and LiClJournal of Physics C: Solid State Physics, 1971
- Lattice dynamics of ionic and covalent crystalsC R C Critical Reviews in Solid State Sciences, 1971
- Lattice Dynamics of Sodium HalidesPhysical Review B, 1970
- Effect of Three‐Body Interactions on the Shell Model of Alkali Halides: Application to KF and KClPhysica Status Solidi (b), 1970
- The Contribution of Three‐Body Overlap Forces to the Dynamical Matrix of Alkali HalidesPhysica Status Solidi (b), 1969
- Effect of Three‐Body Forces on the Shell Model of Alkali Halides: Application to KBr and KIPhysica Status Solidi (b), 1969
- Calculations of Dispersion Curves and Specific Heat for LiF and NaCl Using the Breathing Shell ModelPhysica Status Solidi (b), 1967
- A new model for lattice dynamics (“breathing shell model”)Solid State Communications, 1966
- Lattice Dynamics of Alkali Halide CrystalsPhysical Review B, 1960