关键词: 晶体场理论;吸收光谱;电子顺磁共振参量;ZPPH∶VO~(2+)晶体

Abstract: On the basis of the crystal-field theory, the 10×10 orders energy matrix for 3d~1 electronic configerations were established. The optical absorption spectra and paramagnetic g-factor of ZPPH (ZnKPO_4·6H_2O)∶VO_2 have been obtained by the complete diagonalizing (the energy) matrix method (CDM). At the same time, the optical absorption spectra and electron paramagnetic resonance parameters for VO~(2+) doped in ZPPH crystal in tetragonal (C_(4v)) symmetry are theoretically investigated by the perturbation-theory method (PTM). The calculated values (optical absorption spectra, g-factors g_(//),g_⊥ and hyperfine structure constants A_(//),A_⊥) showed good agreement with the experimental data. Comparing the PTM with the CDM, the PTM is a good approximation for the CDM. The reasonableness of these results were discussed.

Key words: On the basis of the crystal-field theory, the 10×10 orders energy matrix for 3d~1 electronic configerations were established. The optical absorption spectra and paramagnetic g-factor of ZPPH (ZnKPO_4·6H_2O)∶VO_2 have been obtained by the complete diagonalizing (the energy) matrix method (CDM). At the same time, the optical absorption spectra and electron paramagnetic resonance parameters for VO~(2+) doped in ZPPH crystal in tetragonal (C_(4v)) symmetry are theoretically investigated by the perturbation-theory method (PTM). The calculated values (optical absorption spectra, g-factors g_(//),g_⊥ and hyperfine structure constants A_(//),A_⊥) showed good agreement with the experimental data. Comparing the PTM with the CDM, the PTM is a good approximation for the CDM. The reasonableness of these results were discussed.