DFT study of superhalogen (AlF4) doped boron nitride for tuning their nonlinear optical properties
Asmat Ullah Khan, Shabbir Muhammad, Rasheed Ahmad Khera, Rao Aqil Shehzad, Khurshid Ayub, Javed Iqbal
Topics & Concepts
Density functional theoryHyperpolarizabilityMaterials scienceDopingIonization energyElectron affinity (data page)HOMO/LUMOBinding energyBand gapMolecular physicsOscillator strengthAtomic orbitalDipoleAtomic physicsIonizationElectronOptoelectronicsComputational chemistryPhysicsNonlinear opticalChemistryNonlinear systemMoleculeIonSpectral lineQuantum mechanicsAstronomyBoron and Carbon Nanomaterials ResearchNonlinear Optical Materials ResearchNonlinear Optical Materials Studies