Ab initio study of the electronic, optical and thermoelectric properties of lead-free double perovskites K2(Se,Te) Br6
H. Kerrai, A. Zaim, M. Kerouad
Topics & Concepts
Thermoelectric effectAb initioMaterials scienceLead (geology)Thermoelectric materialsAb initio quantum chemistry methodsCondensed matter physicsChemical physicsComputational chemistryChemistryThermodynamicsPhysicsOrganic chemistryMoleculeGeologyGeomorphologyPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsAdvanced Thermoelectric Materials and Devices