Optik ( IF 3.1 ) Pub Date : 2020-01-27 , DOI: 10.1016/j.ijleo.2020.164246 Ren-Ming Peng , An-Bo Qiu , Yang Mei , Wen-Chen Zheng
The crystal field energy levels (obtained from the optical spectra) and g factors g//, g⊥ (obtained from EPR spectra) for the Co2+ ion at the trigonal Al3+ tetrahedral site in β˝-alumina crystal are unifiedly analyzed with the full diagonalization (of energy matrix) method founded on the two-spin-orbit-parameter model (which contains the contributions from both the spin-orbit parameters of central dn ion and ligand ion via covalence effect). The results display that by applying only three adjustable parameters, the observed ten spectral data (eight crystal field energy levels and two g factors) can be rationally interpreted, confirming the availability of this full diagonalization method in the united analyses of optical and EPR data. The large impurity-generated angular distortion and hence the large trigonal distortion [which correspond to the large g-factor anisotropy and large ground state splitting ΔE(4A2)] of the Co2+ tetrahedral center in β˝-alumina are also gained. The outcomes are discussed.
中文翻译:
β˝-氧化铝中三方Co 2+四面体中心的晶体能级和EPR g因子的统一分析
晶体场的能级(从光光谱获得)和克因素克//,克⊥(从EPR谱获得)用于CO 2+在三角的Al离子3+在β˝氧化铝结晶四面体位点unifiedly分析基于在两个自旋轨道参数模型上建立的(能量矩阵的)完全对角化方法(该模型包含通过共价效应从中心d n离子和配体离子的自旋轨道参数中做出的贡献)。结果显示,通过应用只有三个可调节的参数,所观察到的10的光谱数据(8个晶体场的能级和两个克可以合理解释,从而证实了在光学和EPR数据的联合分析中使用这种完全对角化方法是可行的。β˝-氧化铝中Co 2+四面体中心的大的杂质产生的角畸变和因此大的三角畸变(对应于大的g因子各向异性和大的基态分裂ΔE(4 A 2))也是获得。结果进行了讨论。