Abstract
We have investigated the role of Te do** in ZrSxTe2-x using the most accurate modified Becke–Johnson (mBJ) potential within full potential linearized augmented plane wave method (FP-LAPW). It is found that more concentration of Te reduces the bandgap and thereby semiconductor behavior of ZrSxTe2-x. The optical properties, namely, dielectric constants and absorption coefficients are also deduced using FP-LAPW-mBJ method. The optical properties are explained to highlight role of ZrSxTe2-x in photovoltaic applications.
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Acknowledgements
Authors are thankful to SERB, New Delhi (India) for granting a Research Project (Grant No. EMR/2016/001400). We are also grateful to Prof. P. Blaha for providing the WIEN2k code.
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Mali, D., Kumar, K., Ahuja, B.L. (2020). Electronic and Optical Response of Photovoltaic Semiconductor ZrSxTe2-x. In: Kalam, A., Niazi, K., Soni, A., Siddiqui, S., Mundra, A. (eds) Intelligent Computing Techniques for Smart Energy Systems. Lecture Notes in Electrical Engineering, vol 607. Springer, Singapore. https://doi.org/10.1007/978-981-15-0214-9_4
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DOI: https://doi.org/10.1007/978-981-15-0214-9_4
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