Progress in theoretical study of lead-free halide double perovskite Na2AgSbX6 (X = F, Cl, Br, and I) thermoelectric materials
Sunita Kumari, Peeyush Kumar Kamlesh, L Rejitha Kumari, Sudhir Kumar, Sarita Kumari, Rashmi Singh, Rajeev Gupta, M.S. Chauhan, Upasana Rani, Ajay Singh Verma
Topics & Concepts
Thermoelectric effectWIEN2kBand gapSeebeck coefficientThermoelectric materialsMaterials sciencePerovskite (structure)Figure of meritSemiconductorPhononDirect and indirect band gapsAb initioDielectricHalideCondensed matter physicsElectronic structureOptoelectronicsChemistryThermodynamicsComputational chemistryLocal-density approximationCrystallographyPhysicsInorganic chemistryOrganic chemistryPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivitySolid-state spectroscopy and crystallography