4.7 Article

A comprehensive experimental and computational study of highly efficient organic NLO crystal: Anilinium-L-Tartrate

期刊

OPTICS AND LASER TECHNOLOGY
卷 137, 期 -, 页码 -

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ELSEVIER SCI LTD
DOI: 10.1016/j.optlastec.2020.106800

关键词

Organic salt; Density functional theory; Vibrational spectroscopy; Hirshfeld Surface; Second harmonic generation

资金

  1. UGC SERO -MRP, XII plan Hyderabad [5758]

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Organic materials in the field of nonlinear optics, such as Aniline-L-Tartrate (ALT) crystal with high nonlinear optical behavior, show unique advantages compared to inorganic materials. The growth and characterization of ALT crystal provide insights for potential practical applications. Theoretical calculations and analysis further contribute to understanding the macroscopic nonlinear properties of the material.
In the field of nonlinear optics, the organic materials have new corners compared to inorganic materials. Aniline as well as tartrate possesses high nonlinear optical behaviour especially for second harmonic generation. Single crystals of Anilinium-L-Tartrate (ALT) salt is grown from solution growth technique. ALT crystal belongs to triclinic system with space group P1 which is basically a donor acceptor organic material. The grown crystal is subjected to characterisations such as optical, mechanical and spectral studies to propose the material for useful applications. The details of theoretical calculations of macroscopic nonlinear properties molecular orbital calculations and Hirschfield Analysis are also reported in the present work.

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