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Tuning the thermoelectric and optoelectronic attributes of lead-free novel fluoroperovskites Cs2BB'F6 (B = Rb, In, Na and B'=Ir, As, Rh): A first-principles investigation

Hudabia Murtaza, Qurat Ul Ain, Junaid Munir, Hamid M. Ghaithan, Mubashar Ali, Abdullah Ahmed Ali Ahmed, Saif M. H. Qaid

2024Journal of Physics and Chemistry of Solids84 citationsDOI

Topics & Concepts

Thermoelectric effectBand gapPerovskite (structure)Debye modelDirect and indirect band gapsDensity functional theoryChemistryMaterials scienceElectronic band structureOptoelectronicsCondensed matter physicsThermodynamicsCrystallographyComputational chemistryPhysicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity
Tuning the thermoelectric and optoelectronic attributes of lead-free novel fluoroperovskites Cs2BB'F6 (B = Rb, In, Na and B'=Ir, As, Rh): A first-principles investigation | Litcius