Ab initio simulations and STM-images for Co/Pt(110) surfaces

被引：1
|
作者：
Máca, F
Hofer, WA
Redinger, J
机构：
[1] Acad Sci Czech Republic, Inst Phys, CZ-18121 Prague 8, Czech Republic
[2] UCL, London WC1E 6BT, England
[3] Ctr Computat Mat Sci, A-1060 Vienna, Austria
来源：
SURFACE SCIENCE | 2001年 / 482卷
关键词：
cobalt; platinum; surface relaxation and reconstruction; density functional calculations; scanning tunneling microscopy;
D O I：
10.1016/S0039-6028(01)00741-5
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：
We present results, obtained by first principles density functional calculations, simulating scanning tunneling microscopy (STM) images for 1.5 monolayer of Co deposited on a p(1 x 2) Pt(110) surface. Two different surface structures are investigated theoretically: a COPt/Pt(110) film covered by a Co monolayer, and Co/Pt(110) covered by an ordered CoPt layer. The surface geometry has been fully relaxed minimizing forces on ions. Covering with a cobalt monolayer reveals a tendency to form double-rows, the CoPt covered film features surface rumpling. STM scans were simulated using perturbation theory, the influence of different tip compositions is analyzed. The results obtained are in reasonable agreement with experimental findings. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：844 / 849
页数：6
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