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Electronic Structure of Beryllium, Magnesium and Silicon Impurity in Cubic Gallium Nitride

Published online by Cambridge University Press:  15 February 2011

V. A. Gubanov ,
E. Pentaleri ,
C. Y. Fong  and
B. M. Klein
V. A. Gubanov
Affiliation:
Physics Department, San Jose State University, San Jose, CA 95192, vgubanov@isc.sjsu.edu
E. Pentaleri
Affiliation:
Physics Department, San Jose State University, San Jose, CA 95192, vgubanov@isc.sjsu.edu
C. Y. Fong
Affiliation:
Department of Physics, University of California, Davis, CA 95616
B. M. Klein
Affiliation:
Department of Physics, University of California, Davis, CA 95616
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Abstract

Beryllium (Be), magnesium (Mg) and silicon (Si) impurities in zinc-blende galliumnitride (c-GaN) are investigated by the tight binding-linear combination muffin-tin orbitals (TBLMTO) method using a 64-atom supercell. Be and Mg impurities at a Ga site, respectively induce partially empty acceptor-like bands at the valence band edge, which result in p-type conductivity of doped c-GaN. Si impurity in the Ga sublattice creates a partially occupied impurity subband overlapping with the conduction band edge and is responsible for the measured n-type conductivity. The impurity levels of a Si at a N site are located deep in the gap and do not influence much the conductivity of c-GaN. The shell-projected, total and partial densities of states and the charge density maps are used to elucidate the energy and spatial localizations of the impurity states

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 423: Symposium E – III-Nitride, SiC, and Diamond Materials for Electronic , 1996 , 631
Copyright
Copyright © Materials Research Society 1996

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