Theoretical investigation of zero field splitting parameters for Mn2+ centers in ammonium tartrate

被引：0

作者：

Kripal, Ram ^{[1
]}

Pandey, Shri Devi ^{[1
]}

机构：

[1] Univ Allahabad, Dept Phys, EPR Lab, Allahabad 211002, Uttar Pradesh, India

来源：

PHYSICA B-CONDENSED MATTER | 2011年 / 406卷 / 20期

关键词：

Organic crystals; Crystal and ligand fields; Spin-orbit effects; Electron paramagnetic resonance; SPIN-HAMILTONIAN PARAMETERS; S-STATE IONS; ELECTRON-PARAMAGNETIC-RESONANCE; HIGHER SYMMETRY SITES; SUPERPOSITION-MODEL; CRYSTAL-STRUCTURE; TRANSFORMATION RELATIONS; SINGLE-CRYSTALS; 3D(N) IONS; BIVO4;

D O I：

10.1016/j.physb.2011.07.026

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Zero-field splitting (ZFS) parameters D and E for Mn2+ centers in ammonium tartrate single crystal are calculated with perturbation formulae using the superposition model. The theoretically calculated ZFS parameters for Mn2+ at site I and site II of ammonium ion are compared with the experimental values obtained by electron paramagnetic resonance (EPR) at room temperature. The superposition model gives the ZFS parameters similar to those from experiment. The energy band positions of optical absorption spectrum of Mn2+ in ammonium tartrate are calculated using the CFA package and crystal field parameters from superposition model. These are in good agreement with experimental energy band positions. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：3917 / 3921

页数：5

共 50 条

[31] Superposition model analysis of zero field splitting for Mn2+ in some host single crystals
R. S. Bansal
P. Ahlawat
M. Bharti
S. S. Hooda
Indian Journal of Physics, 2013, 87 : 639 - 642
[32] Investigations of the EPR zero-field splitting and the defect structure for Mn2+ and Fe3+ ions in anatase crystals
Qu, Gui-Qiang
Wu, Xiao-Xuan
Zheng, Wen-Chen
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2007, 68 (03) : 905 - 907
[33] Multifrequency electron paramagnetic resonance and theoretical studies of a Mn(II) (S=5/2) complex: The role of geometrical elements on the Zero Field Splitting parameters
Tzima, Theodora D.
Sioros, George
Duboc, Carole
Kovala-Demertzi, Demetra
Melissas, Vasilios S.
Sanakis, Yiannis
POLYHEDRON, 2009, 28 (15) : 3257 - 3264
[34] Superposition model analysis for the zero-field splitting of Mn2+ in La2Co3(NO3)12•24H2O
Jain, Manu
INDIAN JOURNAL OF PHYSICS, 2007, 81 (5-6) : 615 - 618
[35] INVESTIGATION OF THE ZERO-FIELD SPLITTINGS FOR MN2+ ION IN MGF2 CRYSTAL FROM THE SUPERPOSITION MODEL AND THE SPIN-ORBIT MECHANISM
ZHENG, WC
RADIATION EFFECTS AND DEFECTS IN SOLIDS, 1993, 127 (02): : 255 - 258
[36] A STUDY OF ZERO-FIELD SPLITTING IN CS3ZNCL5MN2+
ZHENG, WC
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1992, 53 (08) : 1017 - 1019
[37] Studies of the zero-field splittings and the local tilting angles τMn2+ for Mn2+ in ZnSiP2 and CdSiP2 semiconductors
Zheng, WC
Wu, SY
Zi, J
PHYSICA B-CONDENSED MATTER, 2002, 315 (04) : 223 - 226
[38] Theoretical interpretation of the zero-field splitting parameters for Fe3+ ions in wide-band gap semiconductor TlGaSe2 single crystal
Acikgoz, Muhammed
Gnutek, Pawel
Rudowicz, Czeslaw
SOLID STATE COMMUNICATIONS, 2010, 150 (35-36) : 1610 - 1613
[39] Analysis of the zero-field splitting parameters of Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4 single crystal: Substitution position of the impurity ion
Acikgoz, Muhammed
Gnutek, Pawel
OPTICAL MATERIALS, 2014, 36 (08) : 1311 - 1318
[40] Theoretical investigation of zero field splitting parameter of Cr3+ doped diammonium hexaaqua magnesium sulfate
Kripal, Ram
Yadav, Awadhesh Kumar
PHYSICA B-CONDENSED MATTER, 2015, 456 : 159 - 162

← 1 2 3 4 5 →