Experimental and computational investigations of 4, 4′-Dimethoxybenzoin single crystal for optical limiting applications

Abstract

High quality organic single crystals of 4, 4′-Dimethoxybenzoin (4,4′-DMB) were grown by Bridgman technique by optimizing the growth conditions. Single-phase formation of the compound without any impurities and unit cell parameters were found by powder X-ray diffraction. Photo luminescence spectra showed green emission in the grown crystal. DFT computations on the optical and structural properties were matching with the experimental findings. The cut off wavelength of the grown crystal was found to be around 346 nm and optical bandgap is found to be 2.7 eV.VickersMicrohardness (Hv) measurements revealed of the 4,4, DMB single crystal shown the soft material category. Laser damage threshold studies for the grown crystals were done and compared with other NLO crystals. The optical nonlinear property of the grown crystal were analyzed by Z-scan technique.