The spin-polarized electronic and optical properties of novel Ba2TaXO6 (X = Co, Fe, In) for optoelectronic applications: An ab-initio study
Ahmad Ali, Muhammad Salman Khan, Gulzar Khan, Banat Gul, Ahmed M. Tawfeek, Sikander Azam, Faheem Abbas, Syed Zulfiqar, Shaukat Ali Khattak, Tahirzeb Khan, Said Karim Shah
Topics & Concepts
Density functional theoryAb initio quantum chemistry methodsElectronic structurePlane waveAb initioChemistryDensity of statesAbsorption spectroscopyCondensed matter physicsMaterials scienceMolecular physicsComputational chemistryOpticsPhysicsMoleculeOrganic chemistryMagnetic and transport properties of perovskites and related materialsHeusler alloys: electronic and magnetic propertiesAdvanced Condensed Matter Physics