A theoretical study of , based on the full-potential linearized augmented plane wave method, is used to investigate the variations in the bandgap, optical properties, and nonlinear behavior of the compound with the change in the Ga concentration. It is found that the bandgap decreases with the increase in Ga. A maximum value of 5.50 eV is determined for the bandgap of pure AlN, which reaches a minimum value of 3.0 eV when Al is completely replaced by Ga. The static index of refraction and dielectric constant decreases with the increase in the bandgap of the material, assigning a high index of refraction to pure GaN when compared to pure AlN. The refractive index drops below 1 for higher energy photons, larger than 14 eV. The group velocity of these photons is larger than the vacuum velocity of light. This astonishing result shows that at higher energies the optical properties of the material shifts from linear to nonlinear. Furthermore, frequency dependent reflectivity and absorption coefficients show that peak values of the absorption coefficient and reflectivity shift toward lower energy in the ultraviolet (UV) spectrum with the increase in Ga concentration. This comprehensive theoretical study of the optoelectronic properties predicts that the material can be effectively used in the optical devices working in the visible and UV spectrum.
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15 January 2011
Research Article|
January 19 2011
Ab initio study of the bandgap engineering of for optoelectronic applications
B. Amin;
B. Amin
1Department of Physics, Materials Modeling Laboratory,
Hazara University
, Mansehra 21300, Pakistan
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Iftikhar Ahmad;
Iftikhar Ahmad
a)
1Department of Physics, Materials Modeling Laboratory,
Hazara University
, Mansehra 21300, Pakistan
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M. Maqbool;
M. Maqbool
2Department of Physics and Astronomy,
Ball State University
, Muncie, Indiana 47306, USA
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S. Goumri-Said;
S. Goumri-Said
3Physical Sciences and Engineering Division, Ibn Sina Building,
King Abdullah University of Science and Technology (KAUST)
, Box 4700, Thuwal 23955-6900, Saudi Arabia
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R. Ahmad
R. Ahmad
4Department of Chemistry,
Hazara University
, Mansehra 21300, Pakistan
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a)
Electronic mail: [email protected].
J. Appl. Phys. 109, 023109 (2011)
Article history
Received:
August 31 2010
Accepted:
November 30 2010
Citation
B. Amin, Iftikhar Ahmad, M. Maqbool, S. Goumri-Said, R. Ahmad; Ab initio study of the bandgap engineering of for optoelectronic applications. J. Appl. Phys. 15 January 2011; 109 (2): 023109. https://doi.org/10.1063/1.3531996
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