The complete strong--field--matrices for d^(2,8)(C_(3v)~*) ions are constructed within an O_h-point--group representation. Based on the eigenvalues and eigenvectors of these matrices, acomplete-configuration--mixing E...The complete strong--field--matrices for d^(2,8)(C_(3v)~*) ions are constructed within an O_h-point--group representation. Based on the eigenvalues and eigenvectors of these matrices, acomplete-configuration--mixing EPR theory is established for Ni^(2+) ions in CsMgX (X=Cl,Br,I) kind crystals, and accordingly, a uniform calculation is performed for the opticalabsorption spectrum, the zero-field--splitting and Zeeman splitting of the ground state, theEPR parameters D and g and the EPR conditions (B,hv) of Ni^(2+) impurity ions in a CsMgCl_3crystal. The results are in very good agreement with the experimental, thus a uniform theo-retical interpretation is achieved for the optical and magnetic properties of Ni^(2+):CsMgCl_3for the first time.展开更多
Ⅰ. INTRODUCTIONA lot of experimental work has been devoted to the research on optical and paramagnetic properties of CsMgX<sub>3</sub>（X=C1, Br, I） type crystals doped with transition metal ions. Optica...Ⅰ. INTRODUCTIONA lot of experimental work has been devoted to the research on optical and paramagnetic properties of CsMgX<sub>3</sub>（X=C1, Br, I） type crystals doped with transition metal ions. Optical and electronic paramagnetic resonance （EPR） spectra have been carefully measured for CsMgX<sub>3</sub> : Ni<sup>2+</sup> by Mcpherson et al. and a set of values of the EPR parameters （D, g∥, g⊥） have been obtained accordingly. A theoretical analysis on the experimental data has been reported in literature, but it cannot explain the fine structure of展开更多
The radial wave function of central metal ions plays an important role in calculating the crystalline spectrum of transition-metal ions centralized in complex ions under approximate weak field. Usually, the wave funct...The radial wave function of central metal ions plays an important role in calculating the crystalline spectrum of transition-metal ions centralized in complex ions under approximate weak field. Usually, the wave functions of free state metal ions may be regarded as the zero-order approximation wave function of actual metal ions in展开更多
I. INTRODUCTION Much work has been done on the experimental observations and crystal field analyses of the electronic spectra of Fe2+ in orthopyroxenes. More than twenty bands have been observed in the region from 220...I. INTRODUCTION Much work has been done on the experimental observations and crystal field analyses of the electronic spectra of Fe2+ in orthopyroxenes. More than twenty bands have been observed in the region from 2200—22700cm-1 However, only three stronger absorption bands in infrared have been theoretically analyzed, while展开更多
CaF<sub>2</sub>晶体中的Mn<sup>2+</sup>离子受到八个邻近F<sup>-</sup>离子所产生的立方（O<sub>h</sub>）晶场作用。Mckeev-er et al曾测定并从理论上分析计算了Mn<sup>2+<...CaF<sub>2</sub>晶体中的Mn<sup>2+</sup>离子受到八个邻近F<sup>-</sup>离子所产生的立方（O<sub>h</sub>）晶场作用。Mckeev-er et al曾测定并从理论上分析计算了Mn<sup>2+</sup>离子的吸收谱。在七十年代初,Gekom测定了Mn<sup>2+</sup>离子的基态立方零场分裂参量（CZFS）<sub>a</sub>,直到八十年代中期,段明谦等人才利用高阶微扰理论给出了理论解释。段明谦等人利用其微扰近似公式,代入Powell et al曾选用的光谱参量,计算出的结果与 Powell et al的结果有较大的差别（见表1）。至于CaF<sub>2</sub>晶体中Mn<sup>2+</sup>离子的光谱及基态立方零场参量。展开更多
基金Project supported by the National Natural Science Foundation of China.
文摘The complete strong--field--matrices for d^(2,8)(C_(3v)~*) ions are constructed within an O_h-point--group representation. Based on the eigenvalues and eigenvectors of these matrices, acomplete-configuration--mixing EPR theory is established for Ni^(2+) ions in CsMgX (X=Cl,Br,I) kind crystals, and accordingly, a uniform calculation is performed for the opticalabsorption spectrum, the zero-field--splitting and Zeeman splitting of the ground state, theEPR parameters D and g and the EPR conditions (B,hv) of Ni^(2+) impurity ions in a CsMgCl_3crystal. The results are in very good agreement with the experimental, thus a uniform theo-retical interpretation is achieved for the optical and magnetic properties of Ni^(2+):CsMgCl_3for the first time.
基金Project supported by the National Natural Science Foundation of China
文摘Ⅰ. INTRODUCTIONA lot of experimental work has been devoted to the research on optical and paramagnetic properties of CsMgX<sub>3</sub>（X=C1, Br, I） type crystals doped with transition metal ions. Optical and electronic paramagnetic resonance （EPR） spectra have been carefully measured for CsMgX<sub>3</sub> : Ni<sup>2+</sup> by Mcpherson et al. and a set of values of the EPR parameters （D, g∥, g⊥） have been obtained accordingly. A theoretical analysis on the experimental data has been reported in literature, but it cannot explain the fine structure of
文摘The radial wave function of central metal ions plays an important role in calculating the crystalline spectrum of transition-metal ions centralized in complex ions under approximate weak field. Usually, the wave functions of free state metal ions may be regarded as the zero-order approximation wave function of actual metal ions in
文摘I. INTRODUCTION Much work has been done on the experimental observations and crystal field analyses of the electronic spectra of Fe2+ in orthopyroxenes. More than twenty bands have been observed in the region from 2200—22700cm-1 However, only three stronger absorption bands in infrared have been theoretically analyzed, while
文摘CaF<sub>2</sub>晶体中的Mn<sup>2+</sup>离子受到八个邻近F<sup>-</sup>离子所产生的立方（O<sub>h</sub>）晶场作用。Mckeev-er et al曾测定并从理论上分析计算了Mn<sup>2+</sup>离子的吸收谱。在七十年代初,Gekom测定了Mn<sup>2+</sup>离子的基态立方零场分裂参量（CZFS）<sub>a</sub>,直到八十年代中期,段明谦等人才利用高阶微扰理论给出了理论解释。段明谦等人利用其微扰近似公式,代入Powell et al曾选用的光谱参量,计算出的结果与 Powell et al的结果有较大的差别（见表1）。至于CaF<sub>2</sub>晶体中Mn<sup>2+</sup>离子的光谱及基态立方零场参量。
