Zinc guanidinium phosphate, a semi-organic single crystal, was grown successfully by a slow evaporation solution growth technique. The cell parameters of the grown crystal were confirmed using a powder X-ray diffraction study. The electrical property of the sample was analysed using dielectric and piezoelectric studies. The dielectric constant, dielectric loss and alternating-current conductivity were calculated for various frequencies and temperatures. The solid state parameters such as plasma energy, Penn gap energy, Fermi energy and electronic polarizability were calculated. The piezoelectric property of the title crystal was ascertained by determining its piezoelectric charge coefficient (d33\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$d_{33}$$\end{document}). The optical transmittance and energy gap of the grown crystal were examined using ultraviolet–visible–near-infrared spectral analysis. The title molecule was optimized and the frontier molecular orbital was performed using B3LYP/6-31 +\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$+$$\end{document} G(2d,2p). The emission property of the titular compound was analysed using a photoluminescence study. The dominant colour emission of the grown crystal was found using CIE colour chromaticity coordinates. The nonlinear property of the titular compound was confirmed using a Kurtz–Perry powder technique. The above results illustrate that the title crystal is a potential candidate for light emitting and nonlinear applications. This work explains the dominant colour emitting behaviour and electrical properties such as dielectric and piezoelectric properties of the title crystal, which are reported for the first time.

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磷酸胍锌单晶的生长、发射和压电特性的讨论：换能器和 LED 应用的潜在候选者

磷酸锌胍是一种半有机单晶，通过缓慢蒸发溶液生长技术成功生长。使用粉末 X 射线衍射研究确认生长晶体的晶胞参数。使用介电和压电研究来分析样品的电特性。计算了各种频率和温度下的介电常数、介电损耗和交流电导率。计算了等离子体能量、宾能隙能、费米能和电子极化率等固态参数。通过确定其压电电荷系数 (d33\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$d_{33}$$\end{document}）。使用紫外 - 可见 - 近红外光谱分析检查生长晶体的光学透射率和能隙。标题分子经过优化，前沿分子轨道使用 B3LYP/6-31 +\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{ amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$+$$\end{document} G(2d,2p)。使用光致发光研究分析了标题化合物的发射特性。使用 CIE 色度坐标发现生长晶体的主色发射。使用 Kurtz-Perry 粉末技术确认了标称化合物的非线性特性。上述结果说明标题晶体是发光和非线性应用的潜在候选者。