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Idioma
en
Article de revue
Este ítem está publicado en
Solid State Sciences. 2009, vol. 11, n° 1, p. 200-206
Elsevier
Resumen en inglés
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, ...Leer más >
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.< Leer menos
Palabras clave en inglés
DFT
Wide gap semiconductors
FP-LAPW
Orígen
Importado de HalCentros de investigación