Strategies for designing two-dimensional nonlinear optical layers from KBBF and BBO crystals
Guo-Yu Yang
Abstract
A series of 2D NLO monolayers based on the layered structure of KBe<sub>2</sub>BO<sub>3</sub>F<sub>2</sub>and the planar triangular anions of β-BaB<sub>2</sub>O<sub>4</sub>were designed with first-principles calculations. The 2D-KBBF and 2D-BBO families are predicted to be excellent candidates for 2D NLO monolayers.
Topics & Concepts
MonolayerPlanarNonlinear opticalMaterials scienceCrystallographyOpticsOptoelectronicsNonlinear systemChemistryNanotechnologyPhysicsComputer scienceComputer graphics (images)Quantum mechanics2D Materials and ApplicationsCrystal Structures and PropertiesAcoustic Wave Resonator Technologies