Electronic and optical properties of double perovskites A2BX6 (A = Cs; B = Sn, and (X = Cl, Br, I.) using modified Becke Johonson potential study

Kolli Vamsi Krishna; S. Sritanvi; Niharika Reddy; Saibhavani Reddy; Deepika Nandyala Jr.; Anand Pandarinath; G. Nagakumari; Rajendran Mahesh; Paduru Venugopal Reddy; Vinay Kandrapu

doi:10.1117/12.2632942

3 October 2022 Electronic and optical properties of double perovskites A₂BX₆ (A = Cs; B = Sn, and (X = Cl, Br, I.) using modified Becke Johonson potential study

Kolli Vamsi Krishna, S. Sritanvi, Niharika Reddy, Saibhavani Reddy, Deepika Nandyala Jr., Anand Pandarinath, G. Nagakumari, Rajendran Mahesh, Paduru Venugopal Reddy, Vinay Kandrapu

Author Affiliations +

Proceedings Volume 12208, Organic and Hybrid Light Emitting Materials and Devices XXVI; 122080B (2022) https://doi.org/10.1117/12.2632942
Event: SPIE Organic Photonics + Electronics, 2022, San Diego, California, United States

Abstract

Using the density functional theory, a first-principle approach, the structural, electronic, and optical properties of the double perovskites A2BX6 (A= Cs; B=Sn; X=Cl, Br, and I) were calculated. Calculated parameters lattice constants and band gaps agree with experimental and theoretical observations. The band gap of the A2BX6 compounds is within the optimal range for single-junction photovoltaic applications. The ideal band gap, high dielectric constants, and optimum light absorption of these perovskites make them suitable for high performance single and multi-junction perovskite solar cells

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Kolli Vamsi Krishna, S. Sritanvi, Niharika Reddy, Saibhavani Reddy, Deepika Nandyala Jr., Anand Pandarinath, G. Nagakumari, Rajendran Mahesh, Paduru Venugopal Reddy, and Vinay Kandrapu "Electronic and optical properties of double perovskites A₂BX₆ (A = Cs; B = Sn, and (X = Cl, Br, I.) using modified Becke Johonson potential study", Proc. SPIE 12208, Organic and Hybrid Light Emitting Materials and Devices XXVI, 122080B (3 October 2022); https://doi.org/10.1117/12.2632942

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