First-principles calculations to investigate optical properties of ByAlxIn1−x−yN alloys for optoelectronic devices |
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| Authors: | Y. Al-Douri B. Merabet H. Abid R. Khenata |
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| Affiliation: | 1. Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, Perlis, Malaysia;2. Applied Materials Laboratory, Research Center, University of Sidi Bel Abbes, Sidi Bel Abbes 22000, Algeria;3. Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière (LPQ3 M), Université de Mascara, Mascara 29000, Algeria;4. Department of Physics and Astronomy, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia |
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| Abstract: | First-principles density-functional theory of Full-Potential Linear Augmented Plane Wave (FP-LAPW) within local density approximation (LDA) of the optical properties of ByAlxIn1−x−yN systems (with x = 0.187 and y = 0.062, 0.125 and 0.187) has been performed. Substitutional atoms of Boron induced in small amounts into the (AlxIn1−x)-cationic sublattice of AlInN affects the energy gap of BAlInN. The higher band gap of Al0.375In0.625N alloy can form a useful quantum well (QW) laser structure. A best choice of B-content, ByAlxIn1−x−yN could be an alternative to AlxIn1−xN. The results of accurate calculations of the band structures and optical properties show the better performance characteristics belong to the structure containing B-content (y) of 12.5%. The NaCl metallic ByAl0.1875In0.8125−yN has a direct character for y = 12.5%. The imaginary part of dielectric function, reflectivity, refractive index, absorption coefficient and optical conductivity are investigated well and provide reasonable results for optoelectronic devices applications. |
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| Keywords: | III-Nitrides QW laser Optical properties |
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