Self-consistent statistical thermodynamics of an anharmonic one-dimensional crystal surface under pressure

Abstract

In this work, we use the unsymmetrized self-consistent field theory and the Gibbs’s method of excess functions to calculate surface thermodynamic properties of an an harmonic one-dimensional crystal surface under pressure. We find an overall decrease in the anharmonicity while increasing the pressure. Using some specific interatomic potential functions, we are able to corroborate the analytical results