Remarkably enhanced first hyperpolarizability and nonlinear refractive index of novel graphdiyne-based materials for promising optoelectronic applications: A first-principles study
Xiaojun Li, Yunguang Zhang, Jun Lu
Topics & Concepts
HyperpolarizabilityRefractive indexRayleigh scatteringDensity functional theoryAdsorptionOscillator strengthIntramolecular forceMaterials scienceSecond-harmonic generationScatteringNonlinear opticsChemistryMolecular physicsOptoelectronicsNonlinear systemMoleculeOpticsComputational chemistryPhysical chemistryPhysicsPolarizabilityStereochemistryOrganic chemistryLaserQuantum mechanicsSpectral lineAstronomyNonlinear Optical Materials ResearchPhotorefractive and Nonlinear OpticsAdvanced Chemical Physics Studies