Simple Description of Anharmonic Phenomena in Cubic Crystals

Abstract

A simple spherically symmetric single-atom potential expression in the form of a series expansion in the atomic displacement is assumed to describe the potential energy of each atom in monatomic cubic crystals from room temperature to their melting point. Expressions are derived to account for thermal properties such as melting point and thermal expansion. Calculated results for 13 cubic metals are compared with experimental values. The model accounts for the broad trends in the experimental data and provides an estimate of the extent of anharmonicity to be found in these simple solids.