Point defects in ZnO

We have investigated intrinsic point defects in ZnO and extended this study to Li, Cu and Al impurity centres. Atomic and electronic structures as well as defect energies have been obtained for the main oxidation states of all defects using our embedded cluster hybrid quantum mechanical/molecular me...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Faraday discussions 2007-01, Vol.134, p.267-282
Hauptverfasser:	Sokol, Alexey A, French, Samuel A, Bromley, Stefan T, Catlow, Richard A, van Dam, Huub J J, Sherwood, Paul
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!