Keywords
density-functional calculations, biaxial strain, band energies, optical bowing
Abstract
Using density-functional calculations, we obtain the (001) biaxial strain dependence of the valence and conduction band energies of GaN, GaP, GaAs, InN, InP, and InAs. The results are fit to a convenient-to-use polynomial and the fits provided in tabular form. Using the calculated biaxial deformation potentials in large supercell empirical psuedopotential calculations, we demonstrate that epitaxial strain reduces the InGaN alloy bowing coefficient compared to relaxed bulk alloys.
Original Publication Citation
P. R. C. Kent, G. L. W. Hart, and A. Zunger, "Strain-modified energies of the valence and conduction band of zincblende GaN, GaP, GaAs, InN, InP, InAs, and optical bowing of epitaxially strained and bulk-relaxed InGaN alloys," Appl. Phys. Lett. 81 4377 (2 Dec. 22). (Copyright (22) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the American Institute of Physics.) The original article may be found here: http://apl.aip.org/resource/1/applab/v81/i23/p4377_s1
BYU ScholarsArchive Citation
Hart, Gus L. W.; Kent, P. R. C.; and Zunger, Alex, "Biaxial strain-modified valence and conduction band offsets of zinc-blende GaN, GaP, GaAs, InN, InP, and InAs, and optical bowing of strained epitaxial InGaN alloys" (2002). Faculty Publications. 520.
https://scholarsarchive.byu.edu/facpub/520
Document Type
Peer-Reviewed Article
Publication Date
2002-12-02
Permanent URL
http://hdl.lib.byu.edu/1877/2952
Publisher
American Institute of Physics
Language
English
College
Physical and Mathematical Sciences
Department
Physics and Astronomy
Copyright Status
© 2002 American Institute of Physics
Copyright Use Information
http://lib.byu.edu/about/copyright/