Predicted band structures of III-V semiconductors in the wurtzite phase

Journal Article · Thu Apr 15 00:00:00 EDT 2010 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PHYSREVB.81.155210· OSTI ID:21366725

De, A; Pryor, Craig E ^[1]

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1. Department of Physics and Astronomy and Optical Science and Technology Center, University of Iowa, Iowa City, Iowa 52242 (United States)

While non-nitride III-V semiconductors typically have a zinc-blende structure, they may also form wurtzite crystals under pressure or when grown as nanowhiskers. This makes electronic structure calculation difficult since the band structures of wurtzite III-V semiconductors are poorly characterized. We have calculated the electronic band structure for nine III-V semiconductors in the wurtzite phase using transferable empirical pseudopotentials including spin-orbit coupling. We find that all the materials have direct gaps. Our results differ significantly from earlier ab initio calculations, and where experimental results are available (InP, InAs, and GaAs) our calculated band gaps are in good agreement. We tabulate energies, effective masses, and linear and cubic Dresselhaus zero-field spin-splitting coefficients for the zone-center states. The large zero-field spin-splitting coefficients we find may facilitate the development of spin-based devices.

• OSTI ID: 21366725
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Vol. 81, Issue 15; Other Information: DOI: 10.1103/PhysRevB.81.155210; (c) 2010 The American Physical Society; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
COMPUTERIZED SIMULATION
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
GALLIUM ARSENIDES
INDIUM ARSENIDES
INDIUM PHOSPHIDES
L-S COUPLING
MASS
NANOSTRUCTURES
NITRIDES
SEMICONDUCTOR MATERIALS
SPIN
WHISKERS
ZINC SULFIDES
ANGULAR MOMENTUM
ARSENIC COMPOUNDS
ARSENIDES
CHALCOGENIDES
COUPLING
CRYSTALS
GALLIUM COMPOUNDS
INDIUM COMPOUNDS
INORGANIC PHOSPHORS
INTERMEDIATE COUPLING
MATERIALS
MONOCRYSTALS
NITROGEN COMPOUNDS
PARTICLE PROPERTIES
PHOSPHIDES
PHOSPHORS
PHOSPHORUS COMPOUNDS
PNICTIDES
SIMULATION
SULFIDES
SULFUR COMPOUNDS
ZINC COMPOUNDS