Dresden 2011 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 44: Poster Session I
HL 44.62: Poster
Dienstag, 15. März 2011, 18:00–21:00, P3
Investigation of the band structure of ZnxMg1−xO alloys — •Christian Franz, Michael Czerner, Marcel Giar, Markus Heinemann, and Christian Heiliger — I. Physikalisches Institut, Justus Liebig University Giessen, D-35392, Germany
We investigate the electronic structure of ZnxMg1−xO alloys as a function of composition ab initio by means of density functional theory. Thereby, we model the alloys by using the coherent potential
approximation (CPA) [1] implemented in a Korringa-Kohn-Rostoker Green’s function method. Within the CPA the band structure itself is not well defined but we can analyze the Bloch spectral functions. Out of these spectral
functions we extract effective masses, the positions of band edges, and the band gap. All these quantities are discussed with respect to their dependence of
composition.
[1] Soven, P.,Coherent-Potential Model of Substitutional Disordered Alloys , Physical Review 156,(1967)