K_2MgF_4∶Mn^(2+)体系局域结构的理论研究  

Investigations of the Local Lattice Structure for Mn^(2+) Center in Tetragonal K_2MgF_4 Crystal

作　　者：焦照勇[1] 马淑红[1] 张现周[1] 

机构地区：[1]河南师范大学物理与信息工程学院,河南新乡453007

出　　处：《河南师范大学学报（自然科学版）》2008年第4期50-53,共4页Journal of Henan Normal University(Natural Science Edition)

基　　金：国家自然科学基金(10774039)

摘　　要：采用对角化四角晶体场中d5组态离子的完全能量矩阵的方法,研究了K2MgF4∶Mn2+体系的EPR谱与局域晶格结构间的关系,通过拟和EPR谱的低对称参量b02,b04的实验值计算给出了过渡金属Mn2+离子在K2MgF4∶Mn2+体系中局域结构参量R1=0.20382 nm,R2=0.20558 nm,以及晶格畸变量ΔR1=0.00475 nm,ΔR2=0.00708 nm.A theoretical method for studying the relationship between the low-symmetry zero-field splitting parameters b2^0,b4^0 and the local lattice structure has been established based on the complete energy matrices. This method is used to study the zero-field splitting parameters and the local lattice structure of Mn^2＋ ion center in tetragonal K2 MgF4 crystal. The local lattice structure parameters R1=0. 203 85 nm,R2 =0. 205 58 nm at room temperature and the distortion local lattice structure parameters △R1=0. 004 75 nm,△R2 =0. 007 08 nm are determined.

关 键 词：零场分裂参量 完全能量矩阵 局域结构 

分 类 号：O562.1[理学—原子与分子物理]