Structural, electronic, magnetic and half-metallic properties of cubic perovskites NaBeO3 and KBeO3 using PBE-GGA and TB-mBJ approach: A DFT perspective
V. Ashwin, M. Mohamed Sheik Sirajuddeen, M. Basheer Ahamed, S. Begam Elavarasi
Topics & Concepts
FerromagnetismMagnetic momentSpintronicsCondensed matter physicsElectronic structurePlane waveDensity functional theoryMaterials scienceSpinsPerovskite (structure)ChemistryComputational chemistryPhysicsCrystallographyQuantum mechanicsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic ConductivityMultiferroics and related materials