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First principles investigations of structure, stability and electronic properties of polar Ca2Fe2O5(0 1 0) surfaces

Aarti Shukla, N. K. Gaur, Prasenjit Ghosh

2020Applied Surface Science16 citationsDOI

Topics & Concepts

BrownmilleriteOctahedronDensity functional theoryStoichiometryTetrahedronMaterials scienceCrystallographyPolarStructural stabilityDipoleElectronic structureChemical physicsChemistryComputational chemistryCrystal structurePhysical chemistryPerovskite (structure)AstronomyEngineeringStructural engineeringPhysicsOrganic chemistryMagnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics
First principles investigations of structure, stability and electronic properties of polar Ca2Fe2O5(0 1 0) surfaces | Litcius