Theoretical Interpretation of the EPR Parameters for Dy3+ Ion in LuPO4 Crystal

2004 ◽  
Vol 59 (11) ◽  
pp. 765-768 ◽  
Author(s):  
Hui-Ning Dong ◽  
Hui-Ping Du ◽  
Shao-Yi Wu ◽  
Peng Li
Keyword(s):  
Field Theory ◽  
Hyperfine Structure ◽  
Crystal Field ◽  
Lattice Relaxation ◽  
Theoretical Interpretation ◽  
Superposition Model ◽  
Crystal Field Theory ◽  
Local Lattice ◽  
Epr Parameters ◽  
Structure Constants

Based on the superposition model, in this paper the EPR parameters gII and g⊥ of Dy3+, and the hyperfine structure constants AII and A⊥ of 161Dy3+ and 163Dy3+ in LuPO4 crystal are calculated by perturbation formulas from the crystal-field theory. In the calculations, the contributions of various admixtures and interactions such as J-mixing, mixtures among states with the same J-value, twoorder perturbation, covalency as well as local lattice relaxation are considered. The calculated results agree reasonably with the observed values

scholarly journals Studies Of The Epr G Factors And Hyperfine Structure Constants For Yb3+ Ions In Single Crystals Of Zircon-Structure Orthophosphates

2003 ◽  
Vol 58 (7-8) ◽  
pp. 434-438 ◽  
Author(s):  
Hui-Ning Dong ◽  
Wen-Chen Zheng ◽  
Shao-Yi Wu ◽  
Sheng Tang
Keyword(s):  
Hyperfine Structure ◽  
Crystal Field ◽  
Lattice Relaxation ◽  
Superposition Model ◽  
Zircon Structure ◽  
Local Lattice ◽  
Epr Parameters ◽  
Structure Constants ◽  
Zircon Type ◽  
G Factors

The EPR g factors g|| and g⊥ of Yb3+ and the hyperfine structure constants A|| and A⊥ of 171Yb3+ and 173Yb3+ in crystals of the zircon-structure orthophosphates YPO4, LuPO4, and ScPO4 are calculated from the calculation formulas of the EPR parameters for a 4f13 ion in tetragonal symmetry. In these formulas, the contributions to the EPR parameters from the J-mixing between the ground 2F7/2 and excited 2F5/2 states, the admixtures between the lowest Kramers doublet Γγ and the other 6 Kramers doublets (or irreducible representations) via the crystal-field and orbital angular momentum (or hyperfine structure) interactions and the covalency reduction effect are included. The calculated values agree with the observed ones. In the calculations, the superposition model is used to estimate the crystal-field parameters. It is found intrinsic parameters Ā(R0) that the superposition model with the same R0 for Yb3+ in various zircon-type compounds obtained by considering local lattice relaxation are not scattered as those obtained by using the structural data of pure zircon-type compounds. It appears that, in order to obtain suitable superposition model parameters, the local lattice relaxation should be taken in to account.

Theoretical Investigations of the EPR Parameters of Ti3+ in Beryl Crystal

2006 ◽  
Vol 61 (5-6) ◽  
pp. 286-288 ◽  
Author(s):  
Wen-Chen Zheng ◽  
Qing Zhou ◽  
Xiao-Xuan Wu ◽  
Yang Mei
Keyword(s):  
Hyperfine Structure ◽  
Reasonable Agreement ◽  
Lattice Relaxation ◽  
Superposition Model ◽  
Theoretical Investigations ◽  
Local Lattice ◽  
Epr Parameters ◽  
Structure Constants ◽  
Experimental Values ◽  
Crystal Field Parameters

The EPR parameters (g factors gII, g⊥ and hyperfine structure constants AII, A⊥) of Ti3+ ion at the sixfold coordinated Al3+ site with trigonal symmetry in beryl crystal are calculated by the thirdorder perturbation formulas of 3d1 ions in a trigonal octahedron. In the calculations, the crystal-field parameters are obtained by the superposition model, and the impurity-induced local lattice relaxation (which is similar to that found for Fe3+ in beryl) is considered. The calculated EPR parameters (and also the optical spectra) are in reasonable agreement with the experimental values

The superposition model in crystal field theory

1977 ◽  
Vol 79 (2) ◽  
pp. 775-785 ◽  
Author(s):  
M. V. Eremin ◽  
A. A. Kornienko
Keyword(s):  
Field Theory ◽  
Crystal Field ◽  
Superposition Model ◽  
Crystal Field Theory

Paramagnetic resonance in some lanthanon ethyl sulphates

1958 ◽  
Vol 245 (1241) ◽  
pp. 156-174 ◽  
Keyword(s):  
Field Theory ◽  
Rare Earth ◽  
Hyperfine Structure ◽  
Single Crystals ◽  
Crystal Field ◽  
Nuclear Data ◽  
Rare Earth Ions ◽  
Experimental Results ◽  
Crystal Field Theory ◽  
Paramagnetic Resonance

Paramagnetic resonance in rare earth ions with an even number of unpaired 4ƒ electrons is discussed with particular reference to experimental results in Pr 3+ , Tb 3+ and Ho 3+ ions in single crystals of the ethyl sulphates. The crystal field theory of Elliott & Stevens is used to interpret the results. Some second-order perturbation mechanisms are considered which give rise to apparent quadrupole and hyperfine structure interactions. The following nuclear data are obtained from these experiments : 141 Pr : I = 5/2 ; │ μ │= 3.92 ± 0.2 n. m. ; 159 Tb : I = 3/2 ; │ μ │= 1.52 ± 0.08 n. m. ; 167 Ho : I = 7/2 ; μ = + 3.29 ± 0.17 n. m. ; Q = + 0.7 ± 0.7 barn.

scholarly journals Investigation Of The Epr Parameters Of An Orthorhombic Cu2+ Center In Cs2zncl4 Crystal

2005 ◽  
Vol 60 (5) ◽  
pp. 373-375 ◽  
Author(s):  
Hui-Ning Dong ◽  
Shao-Yi Wu ◽  
Xian-Rong Liu ◽  
Wei-Dong Chen
Keyword(s):  
Crystal Structure ◽  
Electron Paramagnetic Resonance ◽  
Hyperfine Structure ◽  
Hamiltonian Matrix ◽  
Superposition Model ◽  
Paramagnetic Resonance ◽  
Epr Parameters ◽  
Structure Constants ◽  
Crystal Field Parameters ◽  
Electron Paramagnetic

The electron paramagnetic resonance (EPR) anisotropic g-factors gx, gy and gz and hyperfine structure constants Ax, Ay and Az of Cu2+ in Cs2ZnCl4 crystal are theoretically investigated by the method of diagonalizing the full Hamiltonian matrix. The crystal-field parameters are obtained from the crystal structure by the superposition model. The results, agreeing reasonably with the observed values, are discussed.

Theoretical Studies of the Optical Spectra and EPR Parameters of Trigonal Yb3+ Center in KMgF3 and KZnF3 Crystals

2005 ◽  
Vol 60 (11-12) ◽  
pp. 827-830
Author(s):  
Hui-Ning Dong ◽  
Shao-Yi Wu ◽  
Xue-Mei Cai ◽  
Wei-Dong Chen
Keyword(s):  
Field Theory ◽  
Crystal Field ◽  
Optical Spectra ◽  
Theoretical Studies ◽  
Crystal Field Theory ◽  
Epr Parameters

The optical spectra and EPR parameters of trigonal Yb3+ centers in KMgF3 and KZnF3 crystals are calculated in a unified way, based on the crystal-field theory. The results agree reasonably with the observed values. The results are discussed.

THEORETICAL INVESTIGATIONS OF THE EPR PARAMETERS OF CUBICYb3+CENTER INPbS,PbSeANDPbTeSEMICONDUCTORS

2013 ◽  
Vol 27 (15) ◽  
pp. 1362032
Author(s):  
GUO-YA XIE ◽  
XIAN-RONG LIU
Keyword(s):  
Crystal Field ◽  
Diluted Magnetic Semiconductors ◽  
Magnetic Semiconductors ◽  
Crystal Field Theory ◽  
Paramagnetic Resonance ◽  
Theoretical Investigations ◽  
Epr Parameters ◽  
Structure Constants ◽  
Diluted Magnetic ◽  
Crystal Field Parameters

The important diluted magnetic semiconductors PbS , PbSe and PbTe have been studied by the electron paramagnetic resonance (EPR) technique. But there are not reasonable explanation reported. In this work, based on the crystal-field theory, the EPR parameters g factors of Yb3+and hyperfine structure constants of171Yb3+and173Yb3+isotopes in PbS , PbSe and PbTe crystals are calculated by the aid of diagonalizing the full energy matrix. In the calculations, the contributions of various admixtures and interactions such as the J-mixing and the covalence are considered. The crystal field parameters used in the calculations are obtained from the superposition model. The calculated results are in reasonable agreement with the observed values. The results are discussed.

scholarly journals Одиночные центры и димеры примесных ионов гольмия в кристаллах синтетического форстерита: спектроскопия высокого разрешения

2019 ◽  
Vol 127 (7) ◽  
pp. 32
Author(s):  
Е.П. Чукалина ◽  
И.О. Тюренков ◽  
Е.В. Жариков ◽  
К.А. Субботин
Keyword(s):  
Field Theory ◽  
Low Temperature ◽  
Hyperfine Structure ◽  
Crystal Field ◽  
Absorption Spectra ◽  
Spectral Lines ◽  
Crystal Field Theory ◽  
First Time

AbstractHigh-resolution low-temperature absorption spectra in the region of the ^5 I _8 → ^5 I _7, 6, 5, 4, ^5 F _5 transitions in impurity Ho^3+ ions in synthetic forsterite crystals (Mg_2SiO_4) are recorded. Comparison of the observed shape of the spectral lines with the hyperfine structure calculated using crystal-field theory makes it possible to attribute the spectral lines to single centers and dimers for the first time.

scholarly journals Investigation of the EPR Parameters of a Trigonal Dy3+ Center in La2Mg3(NO3)12 · 24H2O Crystal

2007 ◽  
Vol 62 (5-6) ◽  
pp. 343-346 ◽  
Author(s):  
Hui-Ning Dong ◽  
Shao-Yi Wu ◽  
David J. Keeble
Keyword(s):  
Hyperfine Structure ◽  
Crystal Field ◽  
Irreducible Representations ◽  
Spin Orbit Coupling ◽  
Superposition Model ◽  
Paramagnetic Resonance ◽  
Epr Parameters ◽  
Crystal Field Parameters ◽  
Electron Paramagnetic ◽  
Good Agreement

The electron paramagnetic resonance parameters g‖ and g⊥ of Dy3+, and the hyperfine structure parameters A‖ and A⊥ of 161Dy3+ and 163Dy3+ in a La2Mg3(NO3)12 · 24H2O crystal are calculated by the perturbation formulas of the EPR parameters for a 4f9 ion in trigonal symmetry. In these formulas, the J-mixing among the 6HJ (J = 15/2, 13/2 and 11/2) states via crystal-field interactions, the mixtures of the states with the same J-value via spin-orbit coupling interaction and the interactions between the lowest Kramers doublet Γγ and the same irreducible representations in the other 20 Kramers doublets ΓX via the crystal-field and orbital angular momentum (or hyperfine structure) are all considered. The crystal-field parameters for the studied Dy3+ center are obtained with the superposition model. The calculated results are in good agreement with the observed values.

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