Abstract

The lattice dynamical effect on the Helmholtz free energy and on the equation of state for AIP, AlAs and AlSb compounds are studied in the method of lattice dynamics based on our presented binding force. The resultant Helmholtz free energy and thermal pressure from lattice vibrational term are temperature-dependent, and dynamical contributions to free energy are small compared with the static crystal energy. Then, the effect of the thermal pressure is quantitatively important to the equation of state at high temperatures, and the revised version of the volume scale for the pressure-volume relation is necessary when considering the thermal pressure.

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