Revista mexicana de física
Print version ISSN 0035-001X
HERRERA-SUAREZ, H.J.; RUBIO-PONCE, A and OLGUIN, D. Electronic band structure of platinum low-index surfaces: an ab initio and tight-binding study. II. Rev. mex. fis. [online]. 2012, vol.58, n.1, pp. 46-54. ISSN 0035-001X.
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.
Keywords : Ab initio calculations; surface states; resonance states; tight-binding calculations; metal surfaces.