ENERGETICS AND ELECTRONIC-STRUCTURE OF STACKING-FAULTS IN ALN, GAN, AND INN

Basal-plane stacking faults in wurtzite AW, GaN, and InN are studied u sing density-functional-pseudopotential calculations. The formation en ergies follow the trend exhibited for the zinc-blende/wurtzite energy differences in the bulk materials, namely, lowest energy for GaN and h ighest for AIN. Type-I stacking faults have the lowest energy, followe d by type-II stacking faults, and finally extrinsic stacking faults. W e also examine a type of intrinsic stacking fault that has not, to the best of our knowledge, been previously discussed; its energy is sligh tly lower than the type-II faults. Investigations of the electronic st ructure reveal that there are no localized states in the band gap. How ever, stacking faults can bound a quantum-well-like region of zincblen de material surrounded by the wurtzite host, giving rise to a luminesc ence line below the wurtzite band gap.