Self-consistent calculation of the electronic structure of silicon and germanium using the intersecting-spheres model
Articolo
Data di Pubblicazione:
1978
Abstract:
The intersecting-spheres model is a general approach to the calculation of the electronic structure of molecules and solids which adopts a one-electron local potential, an energy-independent trial function, and a cellular partition of space. It has been used with satisfactory results to determine the total energy and the ionization spectra of simple molecules. We report now results concerning the self-consistent band structure of Si and Ge, and we show that these results compare favorably with band structures calculated by the orthogonalized-plane-wave method, under the same assumption for the exchange and correlation potential.
Tipologia CRIS:
1.1 Articolo in rivista
Keywords:
electronic structure of molecules and solids
Elenco autori:
S., Antoci; Mihich, Luigi
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