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Growth and characterization of lithium chloride doped KDP crystals: a DFT and experimental approach
Ferroelectrics ( IF 0.6 ) Pub Date : 2021-02-09 , DOI: 10.1080/00150193.2020.1853734
Mitesh B. Solanki 1 , Pratik Patel 1 , Satyam Shinde 1 , Bharat B. Parekh 1 , Mihir Joshi 2
Affiliation  

Abstract

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.



中文翻译:

氯化锂掺杂KDP晶体的生长和表征:DFT和实验方法

摘要

磷酸二氢钾(KDP)是一种流行的非线性光学材料。光学质量优良的LiCl掺杂KDP晶体已通过慢速溶剂蒸发法在室温下生长。生长晶体的结构研究揭示了生长晶体的单相性质,其晶胞参数略有变化。我已经进行了Rietveld改进,以研究掺杂剂对KDP结构的影响。使用紫外可见光谱研究了生长晶体的线性光学性质,例如光学透明能带隙,反射率,消光系数,折射率等。采用Kurtz和Perry粉末NLO技术研究了KDP晶体中由于掺杂引起的非线性光学改进。生长晶体的交流电学研究是使用复阻抗谱进行的。生长晶体的理论研究已经使用广义梯度近似伪势方法进行了。结果在这里讨论。

更新日期:2021-02-10
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