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In4d and Ga3d levels in InxX1-xN (X = Ga, Al) alloys.

Authors :
de Carvalho, Luiz Cláudio
Furthmüller, Jürgen
Bechstedt, Friedhelm
Source :
Applied Physics Letters. 4/29/2013, Vol. 102 Issue 17, p172105. 4p. 1 Chart, 3 Graphs.
Publication Year :
2013

Abstract

We calculate the binding energies of the In4d and Ga3d electrons in wurtzite InxGa1-xN and InxAl1-xN alloys within the quasiparticle approach based on hybrid-functional starting points and the GW approximation. The alloys are described using a cluster approach with 256 configurations arranged in 22 cluster classes. Averaged core level positions are determined by means of a configurational average including statistical weights of the clusters. We demonstrate that even the semicore levels are influenced by the local arrangements of the cations and, hence, the average alloy composition x. Composition-dependent core level shifts are derived for the semicore levels of random alloys. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00036951
Volume :
102
Issue :
17
Database :
Academic Search Index
Journal :
Applied Physics Letters
Publication Type :
Academic Journal
Accession number :
87441801
Full Text :
https://doi.org/10.1063/1.4803666