Self-Consistent Calculation of Work Function, Charge Densities, and Local Densities of States for Cu(100)

Abstract

A fully self-consistent calculation of electron charge densities, work function, and local densities of states is reported for an unsupported three-layer copper thin film with (100) surfaces. The work function agrees well with experiment. The electronic charge density contours are bulklike for the central plane. There is a marked variation of the local density of states in the surface region. Comparison is made with photoemission spectra and bulk calculations.