Carbon substitution enhanced electronic and optical properties of MgSiP2 chalcopyrite through TB-mBJ approximation
Kada Bidai, A. Tabeti, Dj Si Mohammed, T. Seddik, M. Batouche, Mustafa Özdemir, Benaoumeur Bakhti
Topics & Concepts
Band gapDensity functional theoryMaterials scienceLattice constantAttenuation coefficientBulk modulusChalcopyriteAbsorption (acoustics)Direct and indirect band gapsElectronic structureCarbon fibersLocal-density approximationElectronic band structureSubstitution (logic)Analytical Chemistry (journal)Condensed matter physicsComputational chemistryChemistryOptoelectronicsOpticsDiffractionMetallurgyOrganic chemistryPhysicsCopperProgramming languageComposite numberComputer scienceComposite materialChalcogenide Semiconductor Thin FilmsSemiconductor materials and interfacesSurface and Thin Film Phenomena