Application of the thermodynamic theory of perturbations to the calculation of the thermal properties of crystals
Abstract
Expressions are obtained in the quasiharmonic approximation with the help of the thermodynamic theory of perturbations for the derivatives of the free energy of a lattice with respect to the components of the strain tensor in terms of the Green temperature functions and the corresponding derivatives of the potential energy and the secondorder coupling parameters. A modified version of the quasiharmonic approximation is proposed for the calculation of the temperature dependence of the thermal properties of crystals.
 Publication:

Soviet Physics Journal
 Pub Date:
 September 1984
 DOI:
 10.1007/BF00892421
 Bibcode:
 1984SvPhJ..27..717M