[Sans titre]
Langue
en
Article de revue
Ce document a été publié dans
Solid State Sciences. 2009, vol. 11, n° 1, p. 200-206
Elsevier
Résumé en anglais
First principles total energy calculations were carried out to investigate structural and electronic properties of zinc blende GaN, BN and BxGa1−xN solid solutions. We have calculated lattice parameters, bulk modulus, ...Lire la suite >
First principles total energy calculations were carried out to investigate structural and electronic properties of zinc blende GaN, BN and BxGa1−xN solid solutions. We have calculated lattice parameters, bulk modulus, pressure derivative and BxGa1−xN band gap energy for zinc blende-type crystals of the compositions x = 0, 0.25, 0.5, 0.75, 1. Discussions will be given in comparison with results obtained with other available theoretical and experimental results.< Réduire
Mots clés en anglais
DFT
Wide gap semiconductors
FP-LAPW
Origine
Importé de halUnités de recherche