Reconstructed (110) surfaces of FCC transition metals

被引：12
|
作者：
Zhang, Jian-Min [1 ]
Li, Hong-Yan
Xu, Ke-Wei
机构：
[1] Shaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710062, Shaanxi, Peoples R China
[2] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China
来源：
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 2006年 / 67卷 / 08期
基金：
中国国家自然科学基金;
关键词：
metals; surfaces; electronic structure; microstructure;
D O I：
10.1016/j.jpcs.2006.02.008
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The energies of the ideal, missing row (MR) and missing column (MC) (110) surfaces have been calculated by using modified embedded atom method (MEAM) for seven face centered cubic (FCC) transition metals Au, Pt, Ag, Pd, Rh, Cu and Ni. The results, that the MC reconstruction can not be formed for all metals, while the MR reconstruction can be formed naturally for Au and Pt, inductively for Ag, Pd, Rh and Cu and difficultly for Ni, are better than EAM calculated results in comparing with experimental results. In addition to the surface energy explanation, the results are also related to the surface topography and valence electron structure. (c) 2006 Elsevier Ltd. All rights reserved.
引用
收藏
页码：1623 / 1628
页数：6
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