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

dc.creatorHerrera-Su?rez, Hern?n Javier
dc.creatorRubio?Ponce, Alberto
dc.creatorOlgu?n, Daniel
dc.date2020-02-28T22:19:17Z
dc.date2020-02-28T22:19:17Z
dc.date2012-04-01
dc.date.accessioned2023-08-31T19:22:26Z
dc.date.available2023-08-31T19:22:26Z
dc.identifierHerrera-Su?rez, H. J., Rubio-Ponce, A., & Olgu?n, D. (2012). Electronic band structure of the Pt(1 1 1) surface: An ab initio and tight-binding study - I. Computational Materials Science, 141-146.
dc.identifier0927-0256
dc.identifierhttps://www.sciencedirect.com/science/article/abs/pii/S0927025611006318
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/8557547
dc.descriptionThe electronic band structure of ideal Pt(1 1 1) surface was studied 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(1 1 1) surface agree very well with the available experimental data. 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.
dc.descriptionUniversidad de Ibagu?
dc.languageen
dc.publisherComputational Materials Science
dc.subjectAb initio calculations
dc.subjectSurface states
dc.subjectResonance states
dc.subjectTight?binding calculations
dc.subjectMetal surfaces
dc.titleElectronic band structure of the Pt(1 1 1) surface: An ab initio and tight-binding study ? I
dc.typeArticle


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