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A DFT study of structural and electronic properties of cubic thallium based fluoroperovskites TlBF3 (B Ge,Sn,Pb,Zn,Cd,Hg,Mg,Ca,Sr,Ba)

Redi Kristian Pingak

2022Computational Condensed Matter39 citationsDOI

Topics & Concepts

ElectronegativityDensity functional theoryIonic radiusLattice constantIonic bondingCovalent bondChemistryThalliumBand gapCrystallographyElectronic structureMaterials scienceComputational chemistryPhysical chemistryInorganic chemistryIonDiffractionPhysicsOptoelectronicsOrganic chemistryOpticsHeusler alloys: electronic and magnetic propertiesPerovskite Materials and ApplicationsInorganic Chemistry and Materials
A DFT study of structural and electronic properties of cubic thallium based fluoroperovskites TlBF3 (B Ge,Sn,Pb,Zn,Cd,Hg,Mg,Ca,Sr,Ba) | Litcius