An efficient piezoelectric single-crystal l-argininium phosphite: structural, Hirshfeld, electrical and mechanical analyses for NLO applications

Abstract

l-Argininium phosphite, nonlinear optical crystal was grown by the slow evaporation solution growth technique. It crystallizes in the monoclinic system, with P21 space group and dimensions of unit cells are a = 9.3677 A, b = 4.8601 A and c = 13.2096 A. Its morphology was simulated and indexed using WinXMorph program. The contribution of different interactions in the crystal structure was discerned visually using Hirshfeld surface analysis. The positions of NMR signal (δ) corresponding to carbon and hydrogen atoms in titled molecule were recorded using HETCOR analysis. Moreover, the titled compound’s crystallinity was examined by performing omega scan. Through UV–Vis–NIR transmittance spectra, the cutoff wavelength and bandgap for titled crystal were evaluated. Its dielectric constant and losses were investigated as frequencies varied at room temperature. Furthermore, laser and shock damage threshold analysis were employed on titled compound. Its piezoelectric charge coefficient was also determined and found to be 12 pC/N along (010) plane. Kurtz and Perry's technique was used to measure its second harmonic generation (SHG) efficiency, which was observed to be 20 mV taking standard KDP as reference.