Electronic structures and optical properties of defective KDP with V-doped: A first-principles study
Wenqi Song, Wei Hong, Tingyu Liu, Jinsong Jiang, Liying Yang
Topics & Concepts
Orthorhombic crystal systemTetragonal crystal systemDopingBand gapDensity functional theoryMaterials scienceAtomic orbitalHybrid functionalCrystal (programming language)Electronic band structureImpurityElectronic structureMolecular physicsCrystallographyCrystal structureCondensed matter physicsChemistryOptoelectronicsComputational chemistryPhysicsProgramming languageOrganic chemistryQuantum mechanicsElectronComputer scienceSolid-state spectroscopy and crystallographyNonlinear Optical Materials ResearchCrystal Structures and Properties