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Electron Band Structure of MnGaN

Published online by Cambridge University Press:  01 February 2011

Dimiter Alexandrov ,
Nikolaus Dietz ,
Ian Ferguson  and
Hang Yu
Dimiter Alexandrov
Affiliation:
dimiter.alexandrov@lakeheadu.ca, Lakehead University, Electrical Engineering, 955 Oliver Road, Thunder Bay, P7B5E1, Canada, (807)343-8311
Nikolaus Dietz
Affiliation:
ndietz@gsu.edu, Georgia State University, Department of Physics and Astronomy, Atlanta, GA, 30302-3965, United States
Ian Ferguson
Affiliation:
ian.ferguson@ece.gatech.edu, Georgia Institute of Technology, School of Elect. & Comp. Engineering, Atlanta, GA, 30332-0250, United States
Hang Yu
Affiliation:
hyu@lakeheadu.ca, Lakehead University, Department of Electrical Engineering, 955 Oliver Road, Thunder Bay, P7B5E1, Canada
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Abstract

Investigation of the properties of MnxGa1-xN semiconductor alloy is performed on the basis of LCAO electron band structure of this semiconductor. The authors model this alloy on the basis of Mn substitutions on Ga sites and it is identified that the ternary semiconductor MnxGa1-xN has two tetrahedral binary constituents – GaN and MnN. It is found that the sp3 hybrid orbital of the N atom attracts an electron from the 3d orbital of the Mn atom and thus the Mn-N bonding becomes of sp3 type. In this way the total electron spin of the 3d orbital of the Mn atom becomes 3/2, which determines that the energy levels 4F, 4D, 4P and 4G belonging to this orbital to be occupied. LCAO electron band structure of wurtzite MnxGa1-xN for points Γυc1 and Γυv15 (υ = 1, 2, 3, 4, 5) is calculated by previously developed method and the positions of the levels 4F, 4D, 4P and 4G in this structure are determined. It is found dependence of the total electron spin of the Mn atom on the position of the Fermi level in the electron band diagram of MnxGa1-xN. Also it is found that the total spin depends on electron inter-band transitions as well. The optical properties of the wurtzite MnxGa1-xN are determined as well.

Keywords

III-VspintronicMn
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1040: Symposium Q – Nitrides and Related Bulk Materials , 2007 , 1040-Q05-02
Copyright
Copyright © Materials Research Society 2008

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