Computational determination of the physical-thermoelectric parameters of tin-based organomatallic halide perovskites (CH3NH3SnX3, X = Br and I): Emerging materials for optoelectronic devices
Akash Shukla, Vipan Kumar Sharma, Saral Kumar Gupta, Ajay Singh Verma
Topics & Concepts
Thermoelectric effectDensity functional theoryWIEN2kTinMaterials scienceBand gapHalideOptoelectronicsLocal-density approximationDirect and indirect band gapsCondensed matter physicsChemistryComputational chemistryThermodynamicsInorganic chemistryPhysicsMetallurgyPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography