Electronic structure and Jahn–Teller instabilities in a single vacancy in Ge

Density functional modelling studies of the single vacancy in large Ge clusters are presented. We take a careful look at the origin of Jahn-Teller instabilities as a function of the vacancy net charge, resulting in a variety of structural relaxations. By comparing electron affinities of the vacancy...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of physics. Condensed matter 2005-12, Vol.17 (48), p.L521-L527
Hauptverfasser:	Coutinho, J, Jones, R, Torres, V J B, Barroso, M, Öberg, S, Briddon, P R
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Electron states Elemental semiconductors Exact sciences and technology Impurity and defect levels Physics Scientific Computing Teknisk-vetenskapliga beräkningar
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!