Valence-band splittings in cubic and hexagonal AlN, GaN, and InN

Luiz Cláudio De Carvalho, Andŕ Schleife, Frank Fuchs, Friedhelm Bechstedt

Research output: Contribution to journalArticlepeer-review


Modern parameter-free band-structure calculations are applied to the uppermost valence bands near the Γ point. They are based on a nonlocal exchange-correlation starting point for the iteration of the quasiparticle equation and include spin-orbit interaction. The Ga 3d and In 4d electrons remarkably influence the valence-band splittings. Quasiparticle effects shrink the crystal-field splitting Δcf for GaN and increase the inverted Γ1 - Γ5 distance for AlN. Beyond the quasicubic approximation, we find a small anisotropy of the spin-orbit splittings. While for AlN Δso does only weakly depend on the crystal structure, variations are found between zinc blende and wurtzite for GaN or InN.

Original languageEnglish (US)
Article number232101
JournalApplied Physics Letters
Issue number23
StatePublished - Dec 6 2010
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)


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