Affiliation:
1. Mawlana Bhashani Science and Technology University
2. Jashore University of Science and Technology
Abstract
The structural, mechanical, electronic and optical properties of double perovskite Cs2SnBr6 have been measured by density functional theory (DFT) calculations. The calculated value of lattice parameter is perfectly tailored with the experimental data. The material shows ductile behavior by Paugh’s ductility index (B/G) at ambient condition. The anisotropic nature of this compound is endorsed by the calculation of Zener anisotropy factor. The direct band gap semiconducting nature with the value of gap is 1.33 eV using PBE potential is also corroborated by electronics properties. Eventually, different optical properties of Cs2SnBr6 such as dielectric constants, refractive index, conductivity, absorption, reflectivity and loss function have been observed and disclose for radiation up to 20 eV. Finally the optical properties corroborate the optoelectronic applications of this compound as all as elite candidate for photovoltaic perovskite solar cells.
Reference21 articles.
1. A. Kojima, K. Teshima, Y. Shirai, and T. Miyasaka, “Organometal halide perovskites as visible-light sensitizers for photovoltaic cells,” J. Am. Chem. Soc., vol. 131, no. 17, pp. 6050–6051, 2009.
2. W. J. Yin, T. Shi, and Y. Yan, “Unique properties of halide perovskites as possible origins of the superior solar cell performance,” Adv. Mater., vol. 26, no. 27, pp. 4653–4658, 2014.
3. X. Huang, T. R. Paudel, P. A. Dowben, S. Dong, and E. Y. Tsymbal, “Electronic structure and stability of the CH3NH3PbBr3 (001) surface,” Phys. Rev. B, vol. 94, no. 19, p. 195309 2016.
4. M. S. Alias et al., “Optical constants of CH3NH3PbBr3 perovskite thin films measured by spectroscopic ellipsometry,” Opt. Express, vol. 24, no. 15, p. 16586, 2016.
5. F. Sahli, J. Werner, B. A. Kamino, M. Bräuninger, R. Monnard, B. PavietSalomon, L. Barraud, L. Ding, J. J. Diaz Leon, D. Sacchetto, G. Cattaneo, M. Despeisse, M. Boccard, S. Nicolay, Q. Jeangros, B. Niesen and C. Ballif, “Fully textured monolithic perovskite/silicon tandem solar cells with 25.2% power conversion efficiency,” Nat. Mater., vol. 17, no. 9, pp. 820–826, 2018.