Jellium surface energy beyond the local-density approximation: Self-consistent-field calculations
Materials Science
2009-10-31 v1
Abstract
We report extensive self-consistent calculations of jellium surface energies, by going beyond the local-density approximation. The density-response function of a bounded free-electron gas is evaluated within the random-phase approximation, with use of self-consistent electron density profiles. The exchange-correlation energy is then obtained from an exact adiabatic fluctuation-dissipation formula. We also investigate quantum-size effects and the extrapolation of finite-slab calculations to the infinite-width limit.
Cite
@article{arxiv.cond-mat/0010444,
title = {Jellium surface energy beyond the local-density approximation: Self-consistent-field calculations},
author = {J. M. Pitarke and A. G. Eguiluz},
journal= {arXiv preprint arXiv:cond-mat/0010444},
year = {2009}
}
Comments
11 pages, 8 figures, to appear in Phys. Rev. B