Unified research of the optical and EPR spectral data for the trigonal Cr3+ centers in emerald crystals

作者：Mei, Yang; Peng, Ren-Ming; Zheng, Wen-Chen^*

来源：Optik, 2016, 127(8): 4131-4133.

DOI：10.1016/j.ijleo.2016.01.084

• Optical spectrum
• Electron paramagnetic resonance
• Crystal- and ligand-field theory
• Cr3+
• Emerald

The complete diagonalization (of energy matrix) method founded on the two-spin-orbit-parameter model (where the contributions from both the spin-orbit parameter of central d(n) ion and that of ligand ions are contained) is adopted to calculate together the optical and EPR spectral data for the trigonal Cr3+ centers in emerald crystal. The computed 18 optical and EPR spectral data (15 optical band positions and three spin-Hamiltonian parameters) with only five adjustable parameters are in rational accordance with the experimental values. The calculations indicate that the above diagonalization method is able to explain unifiedly the optical and EPR spectral data for d(3) ions in crystals.

• 出版日期2016
• 单位四川大学; 绵阳师范学院