Studies of the g Factor and Optical Spectra for CaZrO3∶Mn4+ Crystal
WU Xiao-xuan1,4,FENG Wen-lin2,3,ZHENG Wen-chen3,4
1.Department of Physics, Civil Aviation Flying University of China, Guanghan 618307, China 2.Department of Applied Physics, Chongqing Institute of Technology, Chongqing 400050, China 3.Department of Material Science, Sichuan University, Chengdu 610064, China 4.International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, China
Abstract：The complete high-order perturbation formula of g factor for 3d3 ions in cubic octahedral site was derived.In the formula, both the contribution ΔgCF to g-shift Δg(=g-gs, where gs＝2.002 3) due to crystal-field (CF) mechanism (related to the interactions of CF excited states with the ground state) and that (ΔgCT) due to charge-transfer (CT) mechanism (related to the interactions of CT excited states with the ground state, which is omitted in crystal-field theory) are included.By using the formula and the parameters obtained from the optical spectra of CaZrO3∶Mn4+ crystal, the g factor of CaZrO3∶Mn4+ was calculated.The result is consistent with the experimental value.The calculations show that the contribution is opposite in sign and about 62% in magnitude compared with the contribution ΔgCF.It appears that both CF and CT mechanisms should be considered in the calculation of g factor for the high valence 3d3 (e.g., Mn4+ and Fe3+) ions in crystals.
Key words：Electron paramagnetic resonance;g factor;Charge transfer mechanism;Crystal and ligand field theory;CaZrO3：Mn4+
吴晓轩1,,冯文林2,3,郑文琛3,4. CaZrO3∶Mn4+晶体g因子及光谱的研究 [J]. 光谱学与光谱分析, 2008, 28(08): 1705-1707.
WU Xiao-xuan1,4,FENG Wen-lin2,3,ZHENG Wen-chen3,4. Studies of the g Factor and Optical Spectra for CaZrO3∶Mn4+ Crystal. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2008, 28(08): 1705-1707.
