The electronic structure of the (100) surface of Cu has been calculated within a tight-binding description of the electron states, using the layer method. With respect to the calculation with pure d bands, it is found that the inclusion of sp-d hybridization modifies the d surface states and introduces a new state localized in the first two layers. This state is identified as a Schockley-type surface state arising at the lower edge of sp-d gap.
sp-d hybridization effects on the electronic structure of the (100) surface in Copper / Bertoni, Carlo Maria; Bisi, Olmes; CALANDRA BUONAURA, Carlo; F., Nizzoli; Santoro, Giorgio. - In: JOURNAL OF PHYSICS F. METAL PHYSICS. - ISSN 0305-4608. - STAMPA. - 6:(1976), pp. L 41-44.
sp-d hybridization effects on the electronic structure of the (100) surface in Copper
BERTONI, Carlo Maria;BISI, Olmes;CALANDRA BUONAURA, Carlo;SANTORO, Giorgio
1976
Abstract
The electronic structure of the (100) surface of Cu has been calculated within a tight-binding description of the electron states, using the layer method. With respect to the calculation with pure d bands, it is found that the inclusion of sp-d hybridization modifies the d surface states and introduces a new state localized in the first two layers. This state is identified as a Schockley-type surface state arising at the lower edge of sp-d gap.
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