Investigation on Physicochemical Properties of Nonlinear Optical (NLO) Single Crystal: Rubidium Hydrogen Fumarate

被引:1
|
作者
Kavitha, S. [1 ,2 ]
Chakaravarthy, Ramki [3 ]
Geng, Yirong [4 ,5 ]
Ren, Wei [4 ,5 ,6 ,7 ]
Vizhi, R. Ezhil [1 ]
机构
[1] Vellore Inst Technol, Ctr Funct Mat, Mat Res Lab, Vellore 632014, Tamil Nadu, India
[2] Vellore Inst Technol, Sch Adv Sci, Dept Phys, Vellore 632014, Tamil Nadu, India
[3] Saveetha Engn Coll Autonomous, Dept Phys, Chennai 602105, India
[4] Shanghai Univ, Phys Dept, Shanghai 200444, Peoples R China
[5] Shanghai Univ, Int Ctr Quantum & Mol Struct, Shanghai 200444, Peoples R China
[6] Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China
[7] Shanghai Univ, Shanghai Key Lab High Temp Supercond, Shanghai 200444, Peoples R China
基金
中国国家自然科学基金;
关键词
SXRD; Hirshfeld; Z scan; TGA/DTA; Microhardness; and DFT; SOLID-STATE PARAMETERS; GROWTH;
D O I
10.1016/j.molstruc.2024.139619
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A solvent evaporation method produced an optically high-quality semiorganic single crystal of Rubidium hydrogen fumarate (RbHF) at room temperature. The structural analysis reported that the RbHF crystallized in triclinic crystal system with centrosymmetric space group P1<overline>. The Powder XRD pattern indicates the grown crystal have good crystalline nature. FTIR spectroscopy examined the functional group and bonding in the grown molecule. A optical transparency of about 88% were observed in RbHF and having energy bandgap of 3.9 eV were calculated using Tauc's plot. The grown crystals were thermally stable upto 170 degrees C. Mechanical and dielectric analysis has been carried and their properties were discussed in detail. Intermolecular interactions were studied using Hirshfeld surface maps and 2D fingerprint plots. The grown crystal have positive photoconductivity nature. A Z-scan were used to study the third order NLO response in RbHF crystal. The third order nonlinear susceptibility of RbHF crystal was estimated as (chi 3) = 1.60244 x 10(-08) esu, nonlinear absorption coefficient (beta) = 6.39395 x 10(-5) cm(2)/W and nonlinear refractive index (n(2)) = 9.15822 x 10(-12) cm/W. The observed results of the RbHF single crystal show, it has the potential application in optical and optoelectronic devices.
引用
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页数:12
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