The isotherms for the alkaline earth fluorides (CaF2, SrF2 and BaF2) have been computed using the expression for the total free energy of a crystal in the quasiharmonic approximation. The theoretical points for SrF2 and BaF2 have been compared with the points derived from Bridgman’s experimental relation.
The temperature variation of the isothermal bulk modulus of the alkaline earth fluorides has been worked out on the basis of Axe’s shell model. The theoretica points are compared with the points obtained from the temperature variation of the elastic constants data. It is found that the vibrational contribution to the temperature variation of the elastic constants in these crystals is significant.
Volume 96, 2022
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