Theoretical investigation of zero field splitting parameter of Cr3+ doped diammonium hexaaqua magnesium sulfate

被引:0
作者
Kripal, Ram [1 ]
Yadav, Awadhesh Kumar [1 ]
机构
[1] Univ Allahabad, Dept Phys, EPR Lab, Allahabad 211002, Uttar Pradesh, India
关键词
Inorganic compounds; Crystal fields; Electron paramagnetic resonance; Optical properties; SPIN-HAMILTONIAN PARAMETERS; SUPERPOSITION MODEL ANALYSIS; LOCAL DISTORTION; ENERGY-LEVELS; 3D(N) IONS; EPR; SITE;
D O I
10.1016/j.physb.2014.08.046
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The zero field splitting parameter D of Cr3+ doped diammonium hexaaqua magnesium sulfate (DHMS) are calculated with perturbation formula using crystal field (CF) parameters from superposition model. The theoretically calculated ZFS parameters for Cr3+ in DHMS single crystal are compared with the experimental value obtained by electron paramagnetic resonance (EPR). The theoretical ZFS parameter D is similar to that from experiment. The energy band positions of optical absorption spectra of Cr3+ doped DHMS single crystal are calculated with CFA package, which are in good match with experimental values. (C) 2014 Elsevier B.V. All rights reserved.
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页码:159 / 162
页数:4
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