The electronic energy structure for the (111)ideal and relaxed surfaces of silicon is calculated by the chemical pseudopotential method. We use a minimal basis set of localized orbitals and an atomic-like crystal potential to compute the interaction parameters and include self-consistency. Results are compared with other more involved theoretical calculations with satisfactory agreement.
Electronic structure of the (111) ideal and relaxed surfaces of silicon by the chemical pseudopotential method / Casula, F.; Ossicini, Stefano; Selloni, A.. - In: SOLID STATE COMMUNICATIONS. - ISSN 0038-1098. - STAMPA. - 30:(1979), pp. 309-313.
Electronic structure of the (111) ideal and relaxed surfaces of silicon by the chemical pseudopotential method
OSSICINI, Stefano;
1979
Abstract
The electronic energy structure for the (111)ideal and relaxed surfaces of silicon is calculated by the chemical pseudopotential method. We use a minimal basis set of localized orbitals and an atomic-like crystal potential to compute the interaction parameters and include self-consistency. Results are compared with other more involved theoretical calculations with satisfactory agreement.
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