Mn^(2+)在CoSiF_6·6(H_2O):Mn^(2+)体系中EPR谱的理论研究  

THEORETICAL STUDY OF THE EPR FOR Mn^(2+) ion the CoSiF_6·6(H_2O):Mn^(2+) SYSTEM

作　　者：李菊芬[1] 刘忠华[1] 钟水蓉[1] 

机构地区：[1]西南石油大学理学院,成都610065

出　　处：《低温物理学报》2013年第4期317-320,共4页Low Temperature Physical Letters

摘　　要：本文采用对角化三角场中d5电子组态的完全能量矩阵的方法,并同时考虑EPR的二阶参量D和四阶参量(a-F),研究了Mn2+在CoSiF6.6(H2O)体系的局域结构畸变.结果表明:在CoSiF6.6H2O:Mn2+体系中,Mn2+取代了Co2+离子后整个晶体显示出伸长畸变,并且其结构参数R=2.260,θ=52.5192°被确定.The EPR zero-field splitting of Mn^2＋ ion doped in single crystals of CoSiF6·6H2O is studied by diagonalizing the complete energy matrices for d^5 configuration ion in a trigonal ligand field. By considering the second-order and fourth-order EPR parameters D and （a-F） EPR parameters D and （a-F） simultaneously, the local lattice distortion of Mn^2＋ in CoSiF6·6（H2O）：Mn^2＋ system have been studied . The results indicate that the local lattice structure around octahedral Mn^2＋ center has an elongation distortion in CoSiF6·6（H2O）：Mn^2＋ system, and the local structure parameters R=2. 260A, 0=52. 5192° are determined.

关 键 词：CoSiF6.6H2O:Mn2+体系 晶体局域结构畸变 EPR谱 晶体场理论 

分 类 号：O731[理学—晶体学]