Structure and Vibrations of the Vicinal Copper (211) Surface
Materials Science
2009-10-30 v1
Abstract
We report a first principles theoretical study of the surface relaxation and lattice dynamics of the Cu(211) surface using the plane wave pseudopotential method. We find large atomic relaxations for the first several atomic layers near the step edges on this surface, and a substantial step-induced renormalization of the surface harmonic force constants. We use the results to study the harmonic fluctuations around the equilibrium structure and find three new step-derived features in the zone center vibrational spectrum. Comparison of these results with previous theoretical work and weith experimental studies using inelastic He scattering are reported.
Keywords
Cite
@article{arxiv.cond-mat/9712071,
title = {Structure and Vibrations of the Vicinal Copper (211) Surface},
author = {C. Y. Wei and Steven P. Lewis and E. J. Mele and Andrew M. Rappe},
journal= {arXiv preprint arXiv:cond-mat/9712071},
year = {2009}
}
Comments
6 Pages RevTex, 7 Figures in Postscript