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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

Saif M. H. Qaid, Qurat Ul Ain, Hamid M. Ghaithan, Inamul Mursaleen, Abdullah Ahmed Ali Ahmed, Junaid Munir

2024Materials Science and Engineering B61 citationsDOI

Topics & Concepts

Perovskite (structure)Materials scienceHalideDensity functional theoryBand gapStructural stabilityLead (geology)Absorption (acoustics)OptoelectronicsThermoelectric effectConductivityChemical physicsCondensed matter physicsComputational chemistryCrystallographyChemistryPhysical chemistryThermodynamicsInorganic chemistryPhysicsComposite materialStructural engineeringGeomorphologyGeologyEngineeringPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivitySolid-state spectroscopy and crystallography
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 | Litcius