Mechanism for linear and nonlinear optical effects in β − BaB 2 O 4 crystals

Electronic structure calculations of $\ensuremath{\beta}\ensuremath{-}{\mathrm{BaB}}_{2}{\mathrm{O}}_{4}$ from first principles are performed based on a plane-wave pseudopotential method, and the linear optical properties are then obtained. The static second-harmonic generation (SHG) coefficients ar... View More