Structural and electronic properties of group-III nitrides
Journal Article
·
· Physical Review, B: Condensed Matter
- Institut fuer Theoretische Physik II-Festkoerperphysik, Universitaet Muenster, D-48149 Muenster (Germany)
We present first-principles calculations of structural and electronic properties of group-III nitrides in wurtzite and zinc-blende structure. For a most accurate treatment of these wide-band-gap semiconductors within local density approximation we employ our self-interaction- and relaxation-corrected pseudopotentials together with Gaussian-orbital basis sets. The results for BN, AlN, GaN, and InN are in good agreement with a host of experimental data yielding a consistent theoretical description of this class of technologically important semiconductor compounds. {copyright} {ital 1997} {ital The American Physical Society}
- OSTI ID:
- 503697
- Journal Information:
- Physical Review, B: Condensed Matter, Vol. 55, Issue 19; Other Information: PBD: May 1997
- Country of Publication:
- United States
- Language:
- English
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