Force constants and cohesive energies of some diatomic crystals
- 1 December 1967
- journal article
- other
- Published by Taylor & Francis in Philosophical Magazine
- Vol. 16 (144) , 1299-1302
- https://doi.org/10.1080/14786436708229979
Abstract
Adjustable parameters in the overlap potential of a diatomic ionic crystal are generally evaluated from compressibility data. In this note these parameters are evaluated in the case of some metal halides by an alternative method given by Kachhawa and Saxena (1963) using molecular data. Values of cohesive energy calculated by this new method are in satisfactory agreement with experimental values. Thus it establishes this new method and hence whenever the compressibility data are not available molecular data can be used to evaluate the parameters of the overlap potential.Keywords
This publication has 2 references indexed in Scilit:
- On the determination of the energy per cell in a diatomic crystal latticePhilosophical Magazine, 1963
- New Potential Function for Alkali Halide MoleculesThe Journal of Chemical Physics, 1961