欢迎您！东篱公司
退出
-
申报数据库
-
立项数据库
-
成果数据库
-
项目获奖数据库
中文摘要：
采用对角化四角晶体场中d^5组态离子的完全能量矩阵的方法，研究了K2MgF4：Mn^2＋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b2^0，n4^0的实验值计算给出了过渡金属Mn^2＋离子在K2MgF4：Mn^2＋体系中局域结构参量R1=0．20382nm，R2=0．20558nm，以及品格畸变量△R1=0．00475nm，△R2=0．00708nm．
英文摘要：
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.
同期刊论文项目
同项目期刊论文
The solvent and substituent effects on bond dissociation energies of NO-donor molecules containing t
Theoretical investigation of the elastic, electronic, thermodynamic and optical properties of the zi
The spectroscopic, NMR analysis of 1-(2,6-Dichloro-4-nitrophenyl)-5-amino-4-cyanopyrazole by ab init
Theoretical studies on heats of formation of pyride N-oxides using density functional theory and com
Molecular structure, IR spectra of 2-mercaptobenzothiazole and 2- mercaptobenzoxazole by density fun
Pseudo-potential investigations of structural, elastic and thermal properties of tungsten disilicide
Numerical exploration of population transfer of Rydberg-atom by single frequency-chirped laser pulse
Theoretical study of the N-NO2 bond dissociation energies for energetic materials with density funct
期刊信息
位置：