Untitled
Language
en
Article de revue
This item was published in
Solid State Sciences. 2009, vol. 11, n° 1, p. 200-206
Elsevier
English Abstract
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, ...Read more >
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.Read less <
English Keywords
DFT
Wide gap semiconductors
FP-LAPW
Origin
Hal imported