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Investigation of the structural, electronic, magnetic, and optical properties of the double perovskite oxide semiconductor La2NiMnO6: Ab initio calculations by using GGA-PBE and GGA + mBJ approximations

M. Jerrari, R. Masrour, T. Sahdane

2024Computational and Theoretical Chemistry11 citationsDOI

Topics & Concepts

ChemistryPerovskite (structure)Ab initioSemiconductorAb initio quantum chemistry methodsCondensed matter physicsOxideElectronic structureComputational chemistryChemical physicsQuantum mechanicsCrystallographyMoleculeOrganic chemistryPhysicsMagnetic and transport properties of perovskites and related materialsHeusler alloys: electronic and magnetic propertiesAdvanced Condensed Matter Physics
Investigation of the structural, electronic, magnetic, and optical properties of the double perovskite oxide semiconductor La2NiMnO6: Ab initio calculations by using GGA-PBE and GGA + mBJ approximations | Litcius