Theoretical explanation of absorption spectra and ESR parameters of Cu2+ in shattuckite

被引：12

作者：

Feng, Wen-Lin ^{[1
,2
,3
]}

机构：

[1] Chongqing Univ Technol, Dept Appl Phys, Chongqing 400054, Peoples R China

[2] Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China

[3] Chongqing Key Lab Time Grating Sensing & Adv Test, Chongqing 400054, Peoples R China

来源：

PHYSICA B-CONDENSED MATTER | 2012年 / 407卷 / 18期

关键词：

Absorption spectra; ESR spectra; Cu2+; Shattuckite; ATOMIC SCREENING CONSTANTS; TETRAGONAL DISTORTION; SCF FUNCTIONS; CRYSTAL; EPR; PLANCHEITE; CENTERS;

D O I：

10.1016/j.physb.2012.06.009

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The optical absorption spectra and electronic spin resonance parameters (ESR g factors g(parallel to), g(perpendicular to) and hyperfine structure constants A(parallel to), A(perpendicular to)) for Cu2+ in shattuckite crystal are calculated from the two spin-orbital coupling parameters model, high-order perturbation formulas and complete diagonalization (of energy matrix) method (CDM) of 3d(9) ion in tetragonal symmetry. The calculated results are in good agreement with the observed values. Since the ESR parameters are sensitive to the local structure of a paramagnetic impurity center, the defect structure of Cu2+ center in shattuckite crystal is estimated. The results are discussed. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：3865 / 3867

页数：3

共 28 条

[21] THEORY OF LANTHANIDE CRYSTAL FIELDS [J].