Eur. Phys. J. Appl. Phys.
Volume 40, Number 3, December 2007
|Page(s)||247 - 251|
|Section||Semiconductors and Related Materials|
|Published online||13 December 2007|
InNxAs1-x band gap energy and band bowing coefficient calculation
School of Electrical and Electronic Engineering, Nanyang
Technological University, Nanyang Avenue, 639798 Singapore, Singapore
2 Institute of Materials Research and Engineering (IMRE), 3 Research Link, 117602 Singapore, Singapore
Corresponding author: firstname.lastname@example.org
Revised: 15 August 2007
Accepted: 30 August 2007
Published online: 13 December 2007
The band gap energies of zinc-blende InNxAs1-x alloy as a function of its nitrogen composition have been calculated using the density functional theory. The results agree well with those obtained from experimental results. The minimum band gap energy of InNxAs1-x alloy obtained is 70 meV at its N composition of 0.45. The band gap bowing coefficient of InNxAs1-x alloy is obtained from the curve fitting of the simulated band gap energy versus the nitrogen composition, x. The band gap bowing coefficient of zinc-blende InNxAs1-x alloy is found to be 2.072 ± 0.236 eV. The energy band gap for InN is also correctly predicted from this calculation.
PACS: 71.15.Mb – Density functional theory, local density approximation, gradient and other corrections / 71.55.Eq – III-V semiconductors
© EDP Sciences, 2007
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