Journal of Materials Science: Materials in Electronics ( IF 2.8 ) Pub Date : 2020-10-13 , DOI: 10.1007/s10854-020-04594-y K. Kumar , K. SenthilKannan , R. Hariharasuthan , M. Jothibas , M. Vimalan , P. Baskaran , M. Iyanar , M. Kolanjinathan
Diethyl 3,3′-[(2,4-dichlorophenyl) methylidene]bis(1H-indole-2-carboxylate)-(D32DMBC) crystals are grown by slow evaporation method; the good optical quality colorless single-crystalline materials of the title compound were acquired with 93% yield. The crystals are subjected to XRD, NLO-SHG, UV–Vis, FTIR, thermal, dielectric and also the computational studies, respectively. The XRD study confirms the monoclinic nature of the specimen, the FTIR spectrum gives the functional groups in the D32BMBC crystals and the cut-off wavelength as observed from the absorption spectrum is 340 nm; the bandgap is found to be 3.65 eV for D32DMBC from the Tauc’s plot and also is 1.15 times of SHG effectiveness than that of KDP. The D32DMBC crystal can retain quality up to 145 °C and can be designed for NLO applications. The very high value of εr of D32BMBC at lower frequencies is due to the space charge polarization and also computational representation of the sample is studied and reported.
中文翻译:
3,3'-[(2,4-二氯苯基)亚甲基]双(1H-吲哚-2-羧酸酯)-(D32DMBC)有机NLO单晶的生长及其光学,热,机械,介电和计算研究
通过缓慢蒸发法生长3,3′-[(2,4-二氯苯基)亚甲基]双(1H-吲哚-2-羧酸)-(D32DMBC)晶体。获得了标题化合物的良好光学质量的无色单晶材料,收率为93%。分别对晶体进行XRD,NLO-SHG,UV-Vis,FTIR,热,介电以及计算研究。XRD研究证实了样品的单斜晶性质,FTIR光谱给出了D32BMBC晶体中的官能团,从吸收光谱中观察到的截止波长为340 nm。根据Tauc的图,D32DMBC的带隙为3.65 eV,SHG的有效性是KDP的1.15倍。D32DMBC晶体可保持最高145°C的质量,并可设计用于NLO应用。很高的价值ε - [R在较低频率D32BMBC的是由于空间电荷极化,并且还样品的计算表示进行了研究和报告。