Study of Anharmonic Properties of Alkaline Earth Oxides
- 1 May 1981
- journal article
- research article
- Published by Wiley in Physica Status Solidi (b)
- Vol. 105 (1) , 193-199
- https://doi.org/10.1002/pssb.2221050121
Abstract
The third order elastic constants, pressure derivatives of second order elastic constants, Anderson‐Grüneisen parameters, and second Grüneisen constants are calculated for alkaline earth oxides with the help of a new interionic potential. The potential consists of Hafemeister and Zarht (HZ) type short‐range overlap repulsion, effective up to second neighbours, van der Waals (vDW), and three‐body interaction (TBI) effects. The vDWI coefficients are calculated from the Slater‐Kirkwood variational method. The results obtained are in good agreement with experimental data.Keywords
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