First principle comparative study of transitional elements Co, Rh, Ir(III)-based double halide perovskites
Tianyu Tang, Yan-Lin Tang, Yan-Lin Tang
Topics & Concepts
Materials scienceBand gapHalideIonic bondingSemiconductorDirect and indirect band gapsAbsorption (acoustics)Attenuation coefficientFirst principleEnthalpyDuctility (Earth science)Enthalpy of mixingPhysical chemistryDensity functional theoryInorganic chemistryOpticsOptoelectronicsThermodynamicsIonComputational chemistryComposite materialChemistryOrganic chemistryPhysicsCreepPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyThermal Expansion and Ionic Conductivity