Growth and characterization of lithium chloride doped KDP crystals: a DFT and experimental approach

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The potassium dihydrogen phosphate (KDP) is a popular nonlinear optical material. Optically good quality LiCl doped KDP crystals have been grown by slow solvent evaporation method at room temperature. The structural study of grown crystals reveled single phasic nature of grown crystals with slight variation in unit cell parameters. I had done the Rietveld refinement to study the influence of dopant in the structure of KDP. The linear optical properties of grown crystals such as optical transparency energy band gap, reflectance, extinction coefficient, refractive index, etc. were studies using the UV-Visible spectroscopy. The Kurtz and Perry powder NLO technique was employed to study the nonlinear optical improvement in KDP crystal due to doping. The AC electrical study of grown crystals was done using the complex impedance spectroscopy. The theoretical study of grown crystals has been done using the Generalized Gradient Approximation pseudopotential method. The results are discussed here.