First-Principles calculation of atomic hydrogen adsorption on Be(10\={1}0) thin films
Materials Science
2007-05-23 v1 Mesoscale and Nanoscale Physics
Abstract
We present a first-principles study of the atomic hydrogen adsorption onto the Be(10\={1}0) thin film. There are two types of Be(10\={1}0) surfaces according to the interlayer spacing between the surface and its nearest-neighbor layer. We show that the H adsorption features on these two kinds of surfaces are remarkably different. The work function, averaged electrostatic potential, and the local charge density consistently show that the charge is transferred from H to Be for L-type (see the text below) surfaces, while the transfer process is inverted for S-type surfaces.
Keywords
Cite
@article{arxiv.cond-mat/0703332,
title = {First-Principles calculation of atomic hydrogen adsorption on Be(10\={1}0) thin films},
author = {Ping Zhang and Hong-Zhou Song},
journal= {arXiv preprint arXiv:cond-mat/0703332},
year = {2007}
}
Comments
7 figures