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

The 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.