Variational cellular model of the energy bands of silicon

The recently proposed variational cellular method is formulated for application to three‐dimensional periodic structures with an arbitrary number of atoms per unit cell. The method is used here to determine the electronic structure of silicon. The energy band calculations were carried out with the u...

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Veröffentlicht in:International journal of quantum chemistry 1983-03, Vol.24 (S17), p.483-490
Hauptverfasser: Ferraz, Armando C., Leite, José R.
Format: Artikel
Sprache:eng
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