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Title: | First-principles calculations to investigate optical properties of B yAl xIn 1-x-yN alloys for optoelectronic devices |
Authors: | Yarub, Al - Douri Merabet, B. Abid, H. Khenata, R. yarub@unimap.edu.my |
Keywords: | III-nitrides Optical properties Quantum well (QW) laser |
Issue Date: | Mar-2012 |
Publisher: | Elsevier Ltd. |
Citation: | Superlattices and Microstructures, vol. 51 (3), 2012, pages 404-411 |
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 B yAl xIn 1- 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 (Al xIn 1-x)-cationic sublattice of AlInN affects the energy gap of BAlInN. The higher band gap of Al 0.375In 0.625N alloy can form a useful quantum well (QW) laser structure. A best choice of B-content, B yAl xIn 1-x-yN could be an alternative to Al xIn 1-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 B yAl 0.1875In 0.8125-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. |
Description: | Link to publisher's homepage at http://www.elsevier.com/ |
URI: | http://www.sciencedirect.com/science/article/pii/S0749603612000134 http://dspace.unimap.edu.my/123456789/22943 |
ISSN: | 0749-6036 |
Appears in Collections: | Institute of Nano Electronic Engineering (INEE) (Articles) |
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first-principles.pdf | 32.58 kB | Adobe PDF | View/Open |
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