A first-principles study on the phase stability and physical properties of a B-site ordered Nd<sub>2</sub>CrFeO<sub>6</sub> double perovskite
M. Bhuyan, Rana Hossain, Ferdous Ara, M. A. Basith
Abstract
B-site ordered Nd 2 CrFeO 6 double perovskite: A thermodynamically stable ferrimagnetic semiconductor with a band gap in the visible range predicted by DFT calculations.
Topics & Concepts
FerrimagnetismCondensed matter physicsAntiferromagnetismPerovskite (structure)SpintronicsBand gapMaterials scienceMagnetic momentGround stateElectronic band structureSpin (aerodynamics)Electronic structureFerromagnetismMagnetizationPhysicsChemistryCrystallographyMagnetic fieldAtomic physicsThermodynamicsQuantum mechanicsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics