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Theoretical and Experimental Study of the Electronic and Optical Properties of ZnIn2Se4 Crystals

  • OPTICAL AND ELECTRON SPECTROSCOPY OF CRYSTALS
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Abstract

The electronic properties of ZnIn2Se4 crystals have been studied experimentally by spectral ellipsometry and theoretically (from the first principles) using the density functional theory (DFT). Ellipsometric studies in the energy range of 0.7–6.5 eV made it possible to determine the imaginary and real parts of the dielectric function and optical conductivity, as well as the dispersion of the refractive indices, extinction coefficients, and absorption coefficients, and to estimate the values of the Urbach energy, plasma frequency, and nonlinear optical characteristics of ZnIn2Se4 crystals. The electronic band structure, origin of energy states, optical functions for incident light polarized along the crystal optic axis and perpendicular to it, and partial densities of states projected onto atoms are determined by ab initio calculations. The theoretical results are compared with the experimental data obtained by spectral ellipsometry.

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ACKNOWLEDGMENTS

We are grateful to A.S. Bondyakov (Joint Institute for Nuclear Research, Russia), to D.A. Kuliev (Institute of Physics of the Ministry of Science and Education of the Republic of Azerbaijan), and to all employees of the Data Center of the Institute of Physics of the Ministry of Science and Education of the Republic of Azerbaijan for the supplied resources and technical support of theoretical calculations.

Funding

This study was supported by the Science Development Foundation under the President of the Republic of Azerbaijan (grant no. EIF-BGM-3-BRFTF-2+/2017-15/02/1).

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Authors and Affiliations

  1. Institute of Physics, Ministry of Science and Education of the Republic of Azerbaijan, AZ1143, Baku, Azerbaijan

    I. A. Mamedova, Z. A. Jahangirli, E. G. Alizade, R. G. Seyidov, T. G. Mammadov & N. A. Abdullayev

  2. Baku State University, AZ1148, Baku, Azerbaijan

    Z. A. Jahangirli & N. A. Abdullayev

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  1. I. A. Mamedova
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Correspondence to N. A. Abdullayev.

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Translated by Yu. Sin’kov

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Mamedova, I.A., Jahangirli, Z.A., Alizade, E.G. et al. Theoretical and Experimental Study of the Electronic and Optical Properties of ZnIn2Se4 Crystals. Phys. Wave Phen. 32, 150–159 (2024). https://doi.org/10.3103/S1541308X24700092

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