density-functional calculations, biaxial strain, band energies, optical bowing
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.
American Institute of Physics
Physical and Mathematical Sciences
Physics and Astronomy
© 2002 American Institute of Physics
Copyright Use Information