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First-principles calculations to investigate electronic, optical, mechanical and thermoelectric properties of lead-free halide double perovskites Na2InBiX6 (X = cl, Br and I) for optoelectronic and thermoelectric applications

S. Yasin, Arslan Ali, Mohd. Muddassir, Naeem Iqbal, N. Bano, M. Shakil‎

2025Computational and Theoretical Chemistry13 citationsDOI

Topics & Concepts

ChemistryHalideThermoelectric effectThermoelectric materialsOptoelectronicsInorganic chemistryThermodynamicsPhysicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesChalcogenide Semiconductor Thin Films
First-principles calculations to investigate electronic, optical, mechanical and thermoelectric properties of lead-free halide double perovskites Na2InBiX6 (X = cl, Br and I) for optoelectronic and thermoelectric applications | Litcius