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Applied Physics Letters / Volume 81 / Issue 23 / ELECTRONIC TRANSPORT AND SEMICONDUCTORS

Appl. Phys. Lett. 81, 4377 (2002); http://dx.doi.org/10.1063/1.1524299 (3 pages)

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

P. R. C. Kent, Gus L. W. Hart, and Alex Zunger

National Renewable Energy Laboratory, Golden, Colorado 80401

(Received 3 July 2002; accepted 2 October 2002)

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 pseudopotential calculations, we demonstrate that epitaxial strain reduces the InGaN alloy bowing coefficient compared to relaxed bulk alloys. © 2002 American Institute of Physics.

© 2002 American Institute of Physics

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KEYWORDS and PACS

Keywords

gallium arsenide, gallium compounds, indium compounds, wide band gap semiconductors, III-V semiconductors, conduction bands, valence bands, density functional theory, pseudopotential methods

PACS

  • 71.20.Nr

    Semiconductor compounds

  • 71.15.Dx

    Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction)

  • 71.15.Mb

    Density functional theory, local density approximation, gradient and other corrections

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.1524299

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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