ZnAl_2O_4∶Cr^(3+)晶体~4 A_2基态ZFS及其三角晶格畸变研究  

AN INVESTIGATION FOR THE ZFS PARAMETERS OF THE \{\}\+4 A \-2 GROUND STATE AND THE CRYSTAL LATTICE DISTORTION OF THE TRIGONAL SYMMETRY IN ZnAl\-2O\-4∶Cr\+\{3+\}

作　　者：杨子元[1] 邰持明[1] 郑俊博 

机构地区：[1]宝鸡文理学院物理学系,宝鸡721007

出　　处：《波谱学杂志》1999年第4期325-330,共6页Chinese Journal of Magnetic Resonance

基　　金：陕西省教委专项基金;陕西省自然科学基金

摘　　要：用对角化哈密顿矩阵的方法，借助Ｎｅｗ ｍａｎ 晶场叠加模型，研究了ＺｎＡｌ２Ｏ４∶Ｃｒ３ ＋ 晶体的基态零场分裂（ＺＦＳ） 及其电子光谱，理论结果与实验一致．定量研究表明，掺杂晶体ＺｎＡｌ２Ｏ４∶Ｃｒ３ ＋ 中，络离子（ＣｒＯ６）９ － 局域结构应有压缩的三角畸变（Δθ＝ ３ ．０６°） ．同时指出，自旋二重态对４ Ａ２ 基态ＺＦＳ参量ｂ０２ 的贡献不可忽略，而对ｇ 因子的贡献甚微．In this paper, the zero field splitting parameter b\+0\-2 and the electron spectra of ZnAl\-2O\-4∶Cr\+\{3+\} crystal have been studied in terms of the Newman superposition model and the method of the diagonalization Hamiltonian matrices, the calculated results agree well with the experiments. The investigations show that the local structure of the (CrO\-6)\+\{9-\} group in the ZnAl\-2O\-4∶Cr\+\{3+\} Crystal is of the compressed trigonal distortion (Δ θ =3.06°), and point out that the spin doublets can not be omitted for the ZFS parameter of the ground state \{\}\+4 A \-2, and it can be omitted for the ground state g factor. \;

关 键 词：零场分裂 晶格畸变 电子光谱 ZnAl2O4:Cr 晶体 

分 类 号：O76[理学—晶体学]