RSC Advances · 2023 · 91 citations · 55 references
Natural SciencesMaterials SciencePhysicsMaterials ChemistryMaterials PhysicsSolid-state ChemistryAb Initio MethodsDensity Functional TheoryElectronic Band StructureElectronic Structure Of SolidsOptical Properties Of SolidsPerovskite MaterialsBand GapBand Gap PredictionBand Structure CalculationConduction BandElectronic Band GapFirst-principles ModelingHalide PerovskitesPerovskite Crystal Structure
are brittle in nature. These materials appear to be potential candidates for use in optoelectronic devices based on our analysis of their optical properties. Our findings may provide comprehensive insight, invoking experimental studies for further investigations.
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WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties
Peter Blaha, Karlheinz Schwarz, Georg K. H. Madsen et al. · 2019 · 3.4K citations
Natural Sciences, Chemistry, Physics +12