探索磷酸锂铬LiCr(PO₄)的结构和光学性质。

Exploring the structural and optical properties of lithium-chromium phosphate LiCr(PO).

作者信息

Souissi Hajer, Kammoun Souha, Dhahri Essebti, López-Lago E, Costa B F O

机构信息

Applied Physics Laboratory, Luminescent Materials Physics Group, Faculty of Sciences in Sfax, Sfax University, BP 1171, 3000, Sfax, Tunisia.

Departamentode Física Aplicada, Facultade de Óptica e Optometría e Instituto de Materiais (iMATUS), UniversidadedeSantiago de Compostela, 15782, Galicia, Spain.

出版信息

Heliyon. 2024 Aug 14;10(16):e36188. doi: 10.1016/j.heliyon.2024.e36188. eCollection 2024 Aug 30.

DOI:10.1016/j.heliyon.2024.e36188

PMID:39253172

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11381736/

Abstract

The Lithium-chromium phosphate LiCr(PO) sample was synthesized via the solid-state reaction method. The morphological integrity and chemical homogeneity were verified by energy dispersive X-ray analysis (EDX) and scanning electron microscopy (SEM). Infrared and Raman patterns were also analyzed. Optical absorption spectrum analysis, conducted within the range of 10000 cm to 30000 cm at room temperature, yielded some optical parameters (Eg, E, , k, n). The Neuhauser model is used to interpret the interference dip which was on the absorption spectrum of LiCr(PO). The Fourier transform of the autocorrelation function leads to the Zero Phonon Lines of the observed absorption energies. The electronic structure of Cr (3d (Huang et al., 2009) 33) ions in Li3Cr2(PO3)4 was calculated using Racah method, which allowed for precise calculations of Racah and crystal-field parameters. The results showed good agreement between the theoretical and experimental energy levels.

摘要

磷酸锂铬LiCr(PO)样品通过固态反应法合成。通过能量色散X射线分析（EDX）和扫描电子显微镜（SEM）验证了形态完整性和化学均匀性。还对红外和拉曼图谱进行了分析。在室温下于10000 cm至30000 cm范围内进行的光吸收光谱分析得出了一些光学参数（Eg、E、、k、n）。Neuhauser模型用于解释LiCr(PO)吸收光谱上的干涉凹陷。自相关函数的傅里叶变换产生了观测吸收能量的零声子线。使用Racah方法计算了Li3Cr2(PO3)4中Cr（3d（Huang等人，2009年）33）离子的电子结构，这使得能够精确计算Racah和晶体场参数。结果表明理论能级和实验能级之间具有良好的一致性。