First-principles investigations on the structural, optoelectronic, mechanical and transport properties of new stable lead-free double perovskites Cs2BB′I6 (B = Ag/Rb, B′ = Bi/Ga) halides

•Investigation of the structural, mechanical, electronic, transport and optical properties of lead-free Cs2BB′I6 (B = Ag/Rb, B′=Bi/Ga) double perovskites is done by employing first-principles calculation.•The optimization cures, negative formation energy and evaluation of the tolerance factor suppor...

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Bibliographic Details

Published in:	Materials science & engineering. B, Solid-state materials for advanced technology Vol. 301; p. 117176
Main Authors:	Qaid, Saif M.H., ul Ain, Qurat, Ghaithan, Hamid M., Mursaleen, Inamul, Ahmed Ali Ahmed, Abdullah, Munir, Junaid
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01-03-2024
Subjects:	Mechanical stability Optoelectronics Structural characteristics Thermoelectric response Thermoelectric response Optoelectronics Mechanical stability Structural characteristics
Online Access:	Get full text
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