Exploring the structural and optical properties of lithium-chromium phosphate Li3Cr2(PO3)4

Abstract

The Lithium-chromium phosphate Li3Cr2(PO3)4 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−1 to 30000 cm−1 at room temperature, yielded some optical parameters (Eg, Eu, δ, k, n). The Neuhauser model is used to interpret the interference dip which was on the absorption spectrum of Li3Cr2(PO3)4. The Fourier transform of the autocorrelation function leads to the Zero Phonon Lines of the observed absorption energies. The electronic structure of Cr3+ (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.

Keywords

• Li3Cr2(PO4)3 material
• Neuhauser model
• Crystal structure
• Optical parameters
• Crystal field theory