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InNx As1-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
*
[email protected]
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Abstract

The band gap energies of zinc-blende InNx As1-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 InNx As1-x alloy obtained is 70 meV at its N composition of 0.45. The band gap bowing coefficient of InNx As1-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 InNx As1-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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