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InNxAs1-x band gap energy and band bowing coefficient calculation

Published online by Cambridge University Press:  13 December 2007

D. Sentosa ,
X. Tang  and
S. J. Chua
D. Sentosa
Affiliation:
School of Electrical and Electronic Engineering, Nanyang Technological University, Nanyang Avenue, 639798 Singapore, Singapore
X. Tang*
Affiliation:
School of Electrical and Electronic Engineering, Nanyang Technological University, Nanyang Avenue, 639798 Singapore, Singapore
S. J. Chua
Affiliation:
Institute of Materials Research and Engineering (IMRE), 3 Research Link, 117602 Singapore, Singapore
*
exhtang@ntu.edu.sg
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Abstract

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.

Keywords

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 40 , Issue 3 , December 2007 , pp. 247 - 251
Copyright
© EDP Sciences, 2007

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