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Theory of Interfaces in Wide-Gap Nitrides

Published online by Cambridge University Press:  10 February 2011

M. Buongiorno Nardelli
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, nardelli@quinn.physics.ncsu.edu
K. Rapcewicz
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, nardelli@quinn.physics.ncsu.edu
E. L. Briggs
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, nardelli@quinn.physics.ncsu.edu
C. Bungaro
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, nardelli@quinn.physics.ncsu.edu
J. Bernholc
Affiliation:
Department of Physics, North Carolina State University Raleigh, NC 27695, nardelli@quinn.physics.ncsu.edu
Corresponding
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Abstract

The results of theoretical studies of the bulk and interface properties of nitrides are presented. As a test the bulk properties, including phonons of GaN at the Γ-point, are calculated and found to be in excellent agreement with the experimental data. At interfaces, the strain effects on the band offsets range from 20% to 40%, depending on the substrate. The AlN/GaN/InN interfaces are all of type I, while the Al0.5Ga0.5N on A1N zinc-blende (001) interface is of type II. Further, an interface similar to those used in the recent blue laser diodes is of type I and does not have any electronically active interface states. The valence band-offset in the (0001) GaN on A1N interface is -0.57 eV and the conduction band-offset is 1.87 eV.

Type
Research Article
Copyright
Copyright © Materials Research Society 1997

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