Quasiparticle band structure of AlN and GaN
- Department of Physics, University of California at Berkeley, Berkeley, California 94720 (United States) Materials Science Division, Lawrence at Berkeley Laboratory, Berkeley, California 94720 (United States)
The [ital ab] [ital initio] pseudopotential method within the local-density approximation and the quasiparticle approach have been used to investigate the electronic properties of AlN and GaN in the wurtzite and zinc-blende structures. The quasiparticle band-structure energies are calculated using a model dielectric matrix for the evaluation of the electron self-energy. For this calculation, good agreement with the experimental results for the minimum band gaps in the wurtzite structure is obtained. In the zinc-blende structure we predict that AlN will be an indirect ([Gamma] to [ital X]) wide band-gap semiconductor (4.9 eV) and that GaN will have a direct gap of 3.1 eV at [Gamma] in good agreement with recent absorption experiments on cubic GaN (3.2--3.3 eV). A discussion of the direct versus indirect gap as well as other differences in electronic structure between the wurtzite and zinc-blende phases is presented. Other properties of quasiparticle excitations are predicted in this work and remain to be confirmed by experiment.
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 6077701
- Journal Information:
- Physical Review, B: Condensed Matter; (United States), Vol. 48:16; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ALUMINIUM NITRIDES
ELECTRONIC STRUCTURE
GALLIUM NITRIDES
ELECTRON CORRELATION
EXPERIMENTAL DATA
QUASI PARTICLES
ALUMINIUM COMPOUNDS
CORRELATIONS
DATA
GALLIUM COMPOUNDS
INFORMATION
NITRIDES
NITROGEN COMPOUNDS
NUMERICAL DATA
PNICTIDES
360204* - Ceramics
Cermets
& Refractories- Physical Properties