Surface relaxation influenced by surface states

被引：29
作者：
Chis, V [1 ]
Hellsing, B
机构：
[1] Gothenburg Univ, S-41296 Gothenburg, Sweden
[2] Chalmers Univ Technol, S-41296 Gothenburg, Sweden
来源：
PHYSICAL REVIEW LETTERS | 2004年 / 93卷 / 22期
关键词：
D O I：
10.1103/PhysRevLett.93.226103
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
A detailed theoretical investigation of the relaxation of the simple metal surface Al(100) is presented. We show the influence of electronic surface states in this context. The sign and magnitude of the relaxation of the topmost atomic layers is mainly determined by the rearrangements of the surface state charge. The degree of surface relaxation convergence, with respect to the number of slab layers, is determined by the location of the surface state band relative to bulk bands.
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页数：4
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