Thermodynamic properties of the quadrupole-ordered phase of simple molecular crystals in the classical approximation

We analyze sources of inconsistency in describing the rotational component of the specific heat of the orientationally ordered phase of molecular crystals within the framework of a molecular-field theory. It is shown that the latter do not take account of the dynamic molecular correlations due to quadrupole–quadrupole interactions, which are important near the phase transition temperature. These correlations are taken into account in calculating the orientational order parameter, the mean energy, and the specific heat.

Hali tarjima qilinmagan