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Ver términos de la licenciaHerrera Suárez, H. J., et al. (2012). Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II. Revista Mexicana de Física; Vol 58, No 1: 46-54. Recuperado de https://repositorio.unam.mx/contenidos/41752
Autor(es)
Herrera Suárez, H. J.; Rubio Ponce, A.; Olguín.
Tipo
Artículo de Investigación
Área del conocimiento
Físico Matemáticas y Ciencias de la Tierra
Título
Electronic band structure of platinum low--index surfaces: an ab initio and tight--binding study. II
Fecha
2012-01-01
Resumen
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.
Tema
Ab initio calculations; surface states; resonance states; tight--binding calculations; metal surfaces
Idioma
eng
ISSN
2683-2224 (digital); 0035-001X (impresa)
