Thermodynamic Properties of Solid Ar, Kr, and Xe Based Upon a Short-Range Central Force and the Conventional Perturbation Expansion of the Partition Function

作者：Michael Lawrence Klein, George K. Horton, Joseph L. Feldman · 发表于：Physical Review · 年份：1969 · DOI：10.1103/physrev.184.968 · 被引用次数：98 · 研究领域：Advanced Chemical Physics Studies、nanoparticles nucleation surface interactions、Quantum, superfluid, helium dynamics

Thermodynamic properties of the rare-gas solids Ar, Kr, and Xe are calculated using phenomenological two-body central potentials. The cubic and quartic anharmonic terms in the crystal Hamiltonian have been included, using conventional perturbation theory. Although some definite discrepancies with experiment exist for $T<\frac{1}{3}{T}_{\mathrm{melting}}$ these simple models give a fair over-all account of both the volume and temperature dependence of the Helmholtz energy. However, for $T>\frac{1}{3}{T}_{\mathrm{melting}}$ (rms deviations greater than \ensuremath{\sim}6% of the nearest-neighbor distance), anharmonic contributions to the thermodynamic properties become unrealistically large, indicating, we believe, the breakdown of perturbation theory to the order considered in this work.