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Electronic and Optical Properties of ZnAl 2 Se 4 and Its Use in Solar Cell
Author(s) -
Sahariya Jagrati,
Kumar Pancham,
Soni Amit,
Bhamu K. C.
Publication year - 2017
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.201600203
Subject(s) - wien2k , band gap , solar cell , materials science , absorption (acoustics) , absorption spectroscopy , dielectric , chalcopyrite , spectral line , optoelectronics , optics , electronic structure , molecular physics , analytical chemistry (journal) , chemistry , local density approximation , computational chemistry , physics , copper , chromatography , astronomy , metallurgy , composite material
The present paper deals with the electronic and optical properties of ZnAl 2 Se 4 chalcopyrite compound via full potential linearized augmented plane wave method as embodied in Wien2k code of Vienna group. All the calculations are done using the most accurate modified Becke and Johnson (mBJ) potential. We report energy bands, total and partial density of states, absorption spectra, real and imaginary components of dielectric function, reflectivity and refractivity spectra of ZnAl 2 Se 4 compound. Energy gap of ZnAl 2 Se 4 is found to be 3.30 eV which is in accordance with the reported experimental data. High intensity of absorption spectra in visible range (3–5 eV) for ZnAl 2 Se 4 shows its utility for optoelectronic applications such as solar cell.