Electronic band structure of platinum low-index surfaces: an ab initio and tight-binding study. II

被引:0
|
作者
Herrera-Suarez, H. J. [1 ]
Rubio-Ponce, A. [2 ]
Olguin, D. [3 ]
机构
[1] Univ Ibague, Fac Ciencias Nat & Matemat, Ibague, Colombia
[2] Univ Autonoma Metropolitana Azcapotzalco, Dept Ciencias Basicas, Mexico City 02200, DF, Mexico
[3] Inst Politecn Nacl, Ctr Invest & Estudios Avanzados, Dept Fis, Mexico City 07300, DF, Mexico
关键词
Ab initio calculations; surface states; resonance states; tight binding calculations; metal surfaces; LOCAL-DENSITY; STATES; INTERFACES; MAGNETISM; PT(100); METALS;
D O I
暂无
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present the calculated electronic band structure of ideal Pt(100) and Pt(110) surface by using density functional theory and the empirical tight binding method. A detailed discussion of the surface- and resonance-states is given. It is shown that the calculated surface- and resonance- states of ideal Pt(100) surfaces agree very well with the available experimental data. For Pt(110), some of the surface- and resonance-states are characteristic of the low symmetry of the surface and are identified as being independent of surface reconstruction effects. As in the previous paper, the density functional calculations were performed using the full potential linearized augmented plane wave method, and the empirical calculations were performed using the tight-binding method and Surface Green's Function Matching Method.
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页码:46 / 54
页数:9
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