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Band Structure and Effective Masses of Zn1-xMgxO

Published online by Cambridge University Press:  23 January 2013

Christian Franz ,
Marcel Giar ,
Markus Heinemann ,
Michael Czerner  and
Christian Heiliger
Christian Franz
Affiliation:
I. Physikalisches Institut, Justus Liebig University, 35392 Giessen, Germany
Marcel Giar
Affiliation:
I. Physikalisches Institut, Justus Liebig University, 35392 Giessen, Germany
Markus Heinemann
Affiliation:
I. Physikalisches Institut, Justus Liebig University, 35392 Giessen, Germany
Michael Czerner
Affiliation:
I. Physikalisches Institut, Justus Liebig University, 35392 Giessen, Germany
Christian Heiliger
Affiliation:
I. Physikalisches Institut, Justus Liebig University, 35392 Giessen, Germany
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Abstract

We analyze the influence of the Mg concentration on several important properties of the band structure of Zn1-xMgxO alloys in wurtzite structure using ab initio calculations. For this purpose, the band structure for finite concentrations is defined in terms of the Bloch spectral density, which can be calculated within the coherent potential approximation. We investigate the concentration dependence of the band gap and the crystal-field splitting of the valence bands. The effective electron and hole masses are determined by extending the effective mass model to finite concentrations. We compare our results with experimental results and other calculations.

Keywords

electronic structurealloysemiconducting
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1494: Symposium Z – Oxide Semiconductors and Thin Films , 2013 , pp. 57 - 63
Copyright
Copyright © Materials Research Society 2012 

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References

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