Yadav, Rahul; Srivastava, Anshuman; Abraham, Jisha Annie; … - 2022
By dint of FP-LAPW method employed in DFT technique, the mechanical stability, electronic behaviour, optical response and thermoelectric behaviour of Thallium based halide perovskites TlPbX 3 (X = Cl, Br, I) have been theoretically investigated. The energy volume optimisationcurves as well as...