Electronic structure of the Cd vacancy in CdTe
作者： P. H. E. Meijer , P. Pecheur , G. Toussaint
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摘要: By means of a tight binding parametrization the band structure cadmium telluride, in conjunction with Green's function method density states perfect crystal is determined. Various parametrizations for this compound are compared. Next, energy levels Cd vacancy calculated taking into account change wave functions around missing atom as well various possibilities charged state at site. Spin–orbit coupling not taken account, nor possible neighbor relaxation vacancy. In Verbindung mit der Methode Greenschen Funktionen wird mittels „tight-binding” Parametrisierung Bandstruktur von Kadmiumtellurid die Zustandsdichte des perfekten Kristalls bestimmt. Verschiedene Parametrisierungen fur diese werden verglichen. Uter Berucksichtigung sowohl Anderung Wellenfunktion um das fehlende Atom als auch verschiedenen Moglichkeiten den Ladungszustand an diesem Platz dann Energieniveaus Cd-Leerstelle berechnet. Weder Spin–Bahnkopplung noch eine mogliche Nachbar-relaxation Leerstelle berucksichtigt.
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