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Half metallic ferromagnetism and optoelectronic characteristics of V doped BaTiO3compound: a DFT study
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2021
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Magnetic PropertiesOptical MaterialsEngineeringOptical Absorption αDft StudyMagnetic MaterialsPhysical PropertiesMagnetismMultiferroicsFerroelectric ApplicationQuantum MaterialsMagnetic MomentMaterials ScienceElectrical EngineeringOxide ElectronicsOptoelectronic MaterialsFunctional MaterialsMagnetic MaterialHalf Metallic FerromagnetismMagnetoelectric MaterialsTransition Metal ChalcogenidesSpintronicsFerromagnetismNatural SciencesCondensed Matter PhysicsApplied PhysicsFerroelectric MaterialsOptoelectronic Characteristics
The effect of vanadium (V) doping with various concentrations (x= 12.50%, 25%, 50%, 75%) on the physical properties ofBaTiO3perovskite is examined using the spin polarized theory.The electronic band structure (BS) for both states reveal that all Ba0.875V0.125TiO3, Ba0.75V0.25TiO3,Ba0.5V0.5TiO3 and Ba0.25V0.75TiO3 compounds are half-metallic ferromagnetic (HMF) materials. The results showed that V play a significant role in the HMF behavior ofBa1-xVxTiO3compound. In addition, the magnetic characteristics confirm the integer values of magnetic moment of all mentioned compounds. In optical properties, reflectivity R (ω), optical absorption α (ω), dielectric function ɛ (ω), extinction coefficient k (ω), and refractive index n (ω) are also calculated. The complete set of optical parameters suggests the use of mentioned material in the visible-ultra violet optoelectronics devices. Based on the half metallic (HM) results of V doped BaTiO3 is capable for spintronics applications.