Abstract

A good quality organic NLO single crystal of 2-Naphthalenol (2 N) are grown by slow solvent evaporation method. The grown 2 N crystal is analyzed with different characteristic studies such as single crystal XRD, UV, spectroscopic, and NLO. The grown 2 N crystal has above 80% of transmission throughout the visible and IR region. The HOMO–LUMO energy values and the molecular electrostatic potential and the polarizability properties of 2 N crystal are analyzed from DFT theory. The laser damage threshold value has been assessed using Nd:YAG laser as source. The 2 N crystal acquires 2.7 times higher SHG proficiency compared with KDP material.

摘要

通过缓慢的溶剂蒸发法生长出高质量的2-萘酚（2 N）有机NLO单晶。使用不同的特性研究（例如单晶XRD，UV，光谱和NLO）分析生长的2 N晶体。生长的2 N晶体在可见光和IR区域的透射率均超过80％。根据DFT理论分析了2 N晶体的HOMO-LUMO能量值以及分子静电势和极化性。已使用Nd：YAG激光作为光源评估了激光损伤阈值。与KDP材料相比，2 N晶体的SHG熟练度高2.7倍。