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 | Zendy

Paul R. C. Kent | Zendy; Gus L. W. Hart | Zendy; Alex Zunger | Zendy

Open Access

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

Author(s) -

Paul R. C. Kent,

Gus L. W. Hart,

Alex Zunger

Publication year - 2002

Publication title -

applied physics letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.182

H-Index - 442

eISSN - 1077-3118

pISSN - 0003-6951

DOI - 10.1063/1.1524299

Subject(s) - bowing , pseudopotential , materials science , condensed matter physics , epitaxy , band gap , conduction band , wide bandgap semiconductor , wurtzite crystal structure , valence (chemistry) , gallium arsenide , optoelectronics , zinc , chemistry , nanotechnology , metallurgy , physics , philosophy , theology , layer (electronics) , quantum mechanics , electron , organic chemistry

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.

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