TITLE

Dual nature of acceptors in GaN and ZnO: The curious case of the shallow MgGa deep state

AUTHOR(S)
Lany, Stephan; Zunger, Alex
PUB. DATE
April 2010
SOURCE
Applied Physics Letters;4/5/2010, Vol. 96 Issue 14, p142114
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Employing a Koopmans corrected density functional method, we find that the metal-site acceptors Mg, Be, and Zn in GaN and Li in ZnO bind holes in deep levels that are largely localized at single anion ligand atoms. In addition to this deep ground state (DGS), we observe an effective-masslike delocalized state that can exist as a short lived shallow transient state (STS). The Mg dopant in GaN represents the unique case where the ionization energy of the localized deep level exceeds only slightly that of the shallow effective-mass acceptor, which explains why Mg works so exceptionally well as an acceptor dopant.
ACCESSION #
49071198

 

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