Modeling of the influence of defects on the electronic structure of silicon nanoclusters

The total and partial electron densities of states of defect-free and imperfect silicon clusters have been calculated by a semiempirical method. The local centers produced in the band gap of silicon by doping have been shown to be determined predominantly by the intrinsic states of silicon.

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Bibliographische Detailangaben
Veröffentlicht in:	Inorganic materials 2015-09, Vol.51 (9), p.862-869
1. Verfasser:	Sokolenko, E. V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Clusters Defects Electron density Electronic structure Industrial Chemistry/Chemical Engineering Inorganic Chemistry Inorganic materials Materials Science Mathematical models Nanostructure Silicon
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Beschreibung
Zusammenfassung:	The total and partial electron densities of states of defect-free and imperfect silicon clusters have been calculated by a semiempirical method. The local centers produced in the band gap of silicon by doping have been shown to be determined predominantly by the intrinsic states of silicon.
ISSN:	0020-1685 1608-3172
DOI:	10.1134/S0020168515080166