6 March 2018 Prediction of electronic and optical properties of ZnAl2Te4 defect chalcopyrite semiconductor: an ab-initio study
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Proceedings Volume 10714, Third International Conference on Photonics Solutions (ICPS2017); 1071402 (2018) https://doi.org/10.1117/12.2295700
Event: Third International Conference on Photonic Solutions, 2017, Pattaya, Thailand
Abstract
In this paper, we have investigated the structural, electronic and optical properties of ZnAl2Te4 defect chalcopyrite semiconductor using generalized gradient approximation (GGA) within density functional theory (DFT). We have calculated the optimized lattice constants (a and c) and compared with the available experimental values. The optimized lattice constants have been used to calculate the energy band gap and found to be 1.57 eV. The partial density of states and total density of states have been discussed in detail. The frequency dependent dielectric constant and refractive index have been calculated and plotted in the energy range 0-13 eV. All the above parameters have been compared with the available experimental and theoretical values and found good agreement between them.
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Rishikanta Mayengbam, Rishikanta Mayengbam, S. K. Tripathy, S. K. Tripathy, B. P. Pandey, B. P. Pandey, } "Prediction of electronic and optical properties of ZnAl2Te4 defect chalcopyrite semiconductor: an ab-initio study", Proc. SPIE 10714, Third International Conference on Photonics Solutions (ICPS2017), 1071402 (6 March 2018); doi: 10.1117/12.2295700; https://doi.org/10.1117/12.2295700
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