TY - JOUR
T1 - Theoretical study of structural parameters and energy gap composition dependence of GaBN alloys
AU - Kanoun, M.B.
AU - Goumri-Said, S.
PY - 2008/12/1
Y1 - 2008/12/1
N2 - Using first-principles calculations and the generalized gradient approximation, we studied effects of varying the boron composition, x, in the wurtzite GaN. We find that the band gap increases monotonically with the boron composition at low incorporation, showing an agreement with experimental data. The calculated band-gap variation varies nonlinearly as a function of x, with a strong downward bowing of 7.65 eV in GaBN alloys.
AB - Using first-principles calculations and the generalized gradient approximation, we studied effects of varying the boron composition, x, in the wurtzite GaN. We find that the band gap increases monotonically with the boron composition at low incorporation, showing an agreement with experimental data. The calculated band-gap variation varies nonlinearly as a function of x, with a strong downward bowing of 7.65 eV in GaBN alloys.
UR - http://www.scopus.com/inward/record.url?scp=58149465738&partnerID=8YFLogxK
U2 - 10.1088/0268-1242/23/12/125036
DO - 10.1088/0268-1242/23/12/125036
M3 - Article
AN - SCOPUS:58149465738
SN - 0268-1242
VL - 23
JO - Semiconductor Science and Technology
JF - Semiconductor Science and Technology
IS - 12
ER -