The tight-binding method for calculating the electronic structure of a slab of regulary stacked atomic planes has been extended to treat the case of a (0001) surface of a hexagonal-close-packed (hcp) transition metal. The symmetry of the Hamiltonian is discussed and the basis functions of the representations along high-symmetry lines of the two-dimensional Brillouin zone are given. The theory is applied to the study of a 13-layer slab of hcp scandium. We find that several surface states and resonances arise in the d-band region and we discuss the effects of the self-consistency on these surface features. Possible experiments to test the theoretical results are suggested.
Linear-Combination-of-Atomic-Orbital description of the electron states at the (0001) surfaces of hexagonal-close-packed metals / Bertoni, Carlo Maria; Bisi, Olmes; Manghi, Franca. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - STAMPA. - 17(1978), pp. 3750-3756.
Data di pubblicazione: | 1978 | |
Titolo: | Linear-Combination-of-Atomic-Orbital description of the electron states at the (0001) surfaces of hexagonal-close-packed metals | |
Autore/i: | Bertoni, Carlo Maria; Bisi, Olmes; Manghi, Franca | |
Autore/i UNIMORE: | ||
Rivista: | ||
Volume: | 17 | |
Pagina iniziale: | 3750 | |
Pagina finale: | 3756 | |
Codice identificativo ISI: | WOS:A1978FC43900004 | |
Codice identificativo Scopus: | 2-s2.0-35949040671 | |
Citazione: | Linear-Combination-of-Atomic-Orbital description of the electron states at the (0001) surfaces of hexagonal-close-packed metals / Bertoni, Carlo Maria; Bisi, Olmes; Manghi, Franca. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - STAMPA. - 17(1978), pp. 3750-3756. | |
Tipologia | Articolo su rivista |
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