Electronic band structure of the Pt(1Â 1Â 1) surface: An ab initio and tight-binding study

Article ID	Journal	Published Year	Pages	File Type
7962181	Computational Materials Science	2012	6 Pages	PDF

Abstract

âº We have calculated the surface and resonance states of ideal Pt(1Â 1Â 1) surface. âº In our approach we use first principles calculations as well as empirical calculations. âº Our results show that both methods reproduce previous reported experimental and theoretical data on Pt(1Â 1Â 1).

Keywords

Resonance states surface states Metal surfaces Ab initio calculations Tight-binding calculations

Related Topics

Physical Sciences and Engineering Engineering Computational Mechanics

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Electronic band structure of the Pt(1Â 1Â 1) surface: An ab initio and tight-binding study - I

Authors

H.J. Herrera-Suárez, A. Rubio-Ponce, D. OlguÃn,