Surface relaxation and ferromagnetism of Rh(001)
Materials Science
2009-10-30 v1
Abstract
The significant discrepancy between first-principles calculations and experimental analyses for the relaxation of the (001) surface of rhodium has been a puzzle for some years. In this paper we present density functional theory calculations using the local-density approximation and the generalized gradient approximation of the exchange-correlation functional. We investigate the thermal expansion of the surface and the possibility of surface magnetism. The results throw light on several, hitherto overlooked, aspects of metal surfaces. We find, that, when the free energy is considered, density-functional theory provides results in good agreement with experiments.
Keywords
Cite
@article{arxiv.cond-mat/9702043,
title = {Surface relaxation and ferromagnetism of Rh(001)},
author = {Jun-Hyung Cho and Matthias Scheffler},
journal= {arXiv preprint arXiv:cond-mat/9702043},
year = {2009}
}
Comments
6 pages, 4 figures, submitted to Phys. Rev. Lett. (April 28, 1996)