A computational approach to study the halides-based double perovskites Cs2InAuX6 (X=Cl, Br) for low-cost energy technologies
Mazia Asghar, Hafiza Sumaira Waheed, Ussbah Abbas, Hamid Ullah, M. Junaid Iqbal Khan, Saikh Mohammad Wabaidur, Asad Ali, Young‐Han Shin
Topics & Concepts
HalideFigure of meritThermoelectric effectWIEN2kPerovskite (structure)Band gapSeebeck coefficientMaterials scienceOptoelectronicsThermal conductivityInfraredPhase (matter)ChemistryInorganic chemistryElectronic structureComputational chemistryOpticsCrystallographyPhysicsThermodynamicsLocal-density approximationComposite materialOrganic chemistryPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallography2D Materials and Applications