A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A<sub>2</sub>YAuI<sub>6</sub> (A = Rb, Cs) for solar cell and renewable energy applications
Abrar NazirDepartment of Physics Bahawalnagar Campus, The Islamia University of Bahawalpur, Bahawalpur, 63100, PakistanAparna DixitDepartment of Basic Sciences and Humanities, Pranveer Singh Institute of Technology, Kanpur, U. P, IndiaEjaz Ahmad KheraDepartment of Physics Bahawalnagar Campus, The Islamia University of Bahawalpur, Bahawalpur, 63100, PakistanMumtaz ManzoorInstitute of Physics, Slovak Academy of Sciences, 84511 Bratislava, SlovakiaRamesh SharmaDepartment of Applied Science, Feroze Gandhi Institute of Engineering and Technology, Raebareli-229001, Uttar Pradesh, IndiaA. J. A. MoayadDepartment of Materials Science, Malawi University of Science and Technology, P. O Box 5196, Limbe, Malawi
2024en
ABI
Abstract
The physical properties of A 2 YAuI 6 (A = Rb, Cs) perovskite have been investigated in the current work using DFT calculations. Our computed results show that these halides are best for thermoelectric and solar cell applications.
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