Semi-infinite jellium: thermodynamic potential, chemical potential, surface energy

TL;DR

This paper derives a general thermodynamic potential for semi-infinite jellium, calculates surface energy, and examines how Coulomb interactions influence these properties as functions of the Wigner-Seitz radius.

Contribution

It provides a new expression for the thermodynamic potential of semi-infinite jellium and analyzes the effects of Coulomb interactions on surface energy and chemical potential.

Findings

Coulomb interaction increases surface energy.

Surface energy remains positive across all Wigner-Seitz radii.

Coulomb interaction decreases chemical potential.

Abstract

General expression for the thermodynamic potential of the model of semi-infinite jellium is obtained. By using this expression, the surface energy for infinite barrier model is calculated. The behavior of the surface energy and of chemical potential as functions of the Wigner-Seitz radius and the influence of the Coulomb interaction between electrons on the calculated values is studied. It is shown that taking into account the Coulomb interaction between electrons leads to growth of the surface energy. The surface energy is positive in the entire area of the Wigner-Seitz radius. It is shown that taking into account the Coulomb interaction between electrons leads to a decrease of the chemical potential.