Experimental and theoretical characterization of semiorganic nonlinear optical material l-leucine hydrobromide

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• 作者：Soma Adhikari ; Tanusree Kar ; ^{mstk@iacs.res.in}
• 关键词：A. Optical materials ; B. Crystal growth ; C. Infrared spectroscopy ; C. Thermogravimetric analysis ; D. Mechanical properties
• 刊名：Materials Research Bulletin
• 出版年：2013
• 出版时间：April, 2013
• 年：2013
• 卷：48
• 期：4
• 页码：1612-1617
• 全文大小：929 K

文摘

Semiorganic nonlinear optical material l-leucine hydrobromide (LEHBr) has been synthesized and single crystals were grown by solvent evaporation method at a constant temperature of 35 ¡ãC. CHN test, FTIR and XRD analysis were performed for identification of the material. Thermal and mechanical stability of the grown crystal were investigated by DTA-TGA analysis and microhardness measurement respectively. Suitability of LEHBr for NLO application was studied by optical transmission study and second harmonic generation (SHG) efficiency measurement. SHG efficiency was found to be 4 times of KDP. First hyperpolarizability, dipole moment and polarizability of LEHBr were calculated at the framework of Hartree-Fock (HF) with 6-311G(d) basis set. First order hyperpolarizability was found to be 3.233 ¡Á 10^?33 esu which is 4.9 times of urea.