Examinando por Materia "Surface states"
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- PublicaciónSólo datosElectronic band structure of platinum low-index surfaces: An abinitio and tight-binding study. II(Revista Mexicana De Fisica , 2012-12-01) Herrera-Suárez, Hernán Javier; Rubio–Ponce, Alberto; Olguín, Daniel
- PublicaciónSólo datosElectronic band structure of the Pt(1 1 1) surface: An ab initio and tight-binding study – I(Computational Materials Science, 2012-04-01) Herrera-Suárez, Hernán Javier; Rubio–Ponce, Alberto; Olguín, DanielThe 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.
- PublicaciónSólo datosEstados de superficie y estados resonantes del Pd (111)(Respuestas, 2018-06-30) Herrera-Suárez, Hernán Javier; Rubio–Ponce, Alberto; Olguín, DanielThe motivation of this work is based on the importance of Palladium in processes such as catalysis and hence the need to know its electronic properties. We present a detailed study of the electronic structure of Palladium bands in the crystallographic direction (111). First we verify that the local density of states, projected in the volume, agrees with the results obtained for the case of the infinite medium previously reported. Next, a detailed study is made of different surface states and characteristic resonant states of the Palladium in the crystallographic direction (111). It was found that the results obtained are compared with the values published in the literature, and the prediction of different states not yet reported is made.