Electronic excitation in atomic adsorption on metals: A comparison of ab initio and model calculations

被引：22

作者：

Bird, D. M. ^{[1
]}

Mizielinski, M. S. ^{[1
]}

Lindenblatt, M. ^{[2
]}

Pehlke, E. ^{[2
]}

机构：

[1] Univ Bath, Dept Phys, Bath BA2 7AY, Avon, England

[2] Univ Kiel, Inst Theoret Phys & Astrophys, D-24098 Kiel, Germany

来源：

SURFACE SCIENCE | 2008年 / 602卷 / 06期

基金：

英国工程与自然科学研究理事会;

关键词：

excitation spectra calculations; chemisorption; energy dissipation; time-dependent density functional theory; electron-hole pairs;

D O I：

10.1016/j.susc.2008.01.026

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Results of calculations using time-dependent density functional theory and an analytic solution of the mean-field Newns-Anderson model are compared for the spectrum of electronic excitations generated by the adsorption of H-atoms on the Al(111) surface. It is shown that the main features of the spectra as a function of the incident energy of the H atoms are similar, but some details are not in quantitative agreement. (c) 2008 Elsevier B.V. All rights reserved.

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收藏

页码：1212 / 1216

页数：5

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