摘要
基于离子簇近似下四角场中3d3离子EPR参量的微扰公式,通过配位场方法对LiF和AgCl中四角V2+中心的缺陷结构和EPR参量进行了理论研究,提出V2+在LiF和AgCl中的缺陷结构模型,即处于杂质离子与C4轴方向上VC间的配体将由于VC的静电排斥作用而朝靠近杂质离子的方向上位移一段距离?Z。根据上述缺陷结构模型得到的EPR参量理论值与实验值吻合较好。
The defect structures for the tetragonal V^2＋ centers in LiF and AgCI are theoretically studied from the perturbation formulas the Electron Paramagnetic Resonance （EPR） parameters for a 3d^3 ion in tetragonal symmetry based on the cluster approach. The structure model proposed in this work suggests that the ligand intervening in the impurity V^2＋ and the next-nearest-neighbouring cation vacancy （Vc） in the C4 axis is expected to suffer an off-center displacement AZ towards the former due to electrostatic repulsion. The theoretical EPR parameters based on the above defect structures show a good agreement with the observed values.
出处
《电子科技大学学报》
EI
CAS
CSCD
北大核心
2006年第4期500-502,506,共4页
Journal of University of Electronic Science and Technology of China
关键词
缺陷结构
电子顺磁共振
晶体场和配位场理论
重叠模型
defect structures
electron paramagnctic resonance
crystal-and ligand fields
supcrposition model
