scholarly journals Electron-nuclear interactions as a test of crystal field parameters for low-symmetry systems: Zeeman hyperfine spectroscopy of Ho3+ -doped Y2SiO5

2021 ◽  
Vol 103 (10) ◽  
Author(s):  
Sagar Mothkuri ◽  
Michael F. Reid ◽  
Jon-Paul R. Wells ◽  
Eloïse Lafitte-Houssat ◽  
Philippe Goldner ◽  
...  
Keyword(s):  
Crystal Field ◽  
Nuclear Interactions ◽  
Crystal Field Parameters ◽  
Low Symmetry ◽  
Hyperfine Spectroscopy

scholarly journals EPR of Gd3+ in a Single Crystal of Thorium disulfide (ThS2)

1981 ◽  
Vol 36 (11) ◽  
pp. 1163-1168
Author(s):  
G. Amoretti ◽  
D. C. Giori ◽  
V. Varacca
Keyword(s):  
Single Crystal ◽  
Crystal Field ◽  
Site Symmetry ◽  
Spin Hamiltonian ◽  
Fitting Procedure ◽  
Numerical Fitting ◽  
Crystal Field Symmetry ◽  
Field Symmetry ◽  
Crystal Field Parameters ◽  
Low Symmetry

In this paper we report the experimental angular behaviour of the EPR spectra for a single crystal of Thorium disulfide (ThS2) doped with Gd3+ at very low concentration (of the order of 10 p.p.m.). The experimental data are interpreted in terms of a spin Hamiltonian which reflects the crystal field symmetry at the Th site, that is monoclinic Cs, and therefore shows that the doping ions enter substitutionally without lowering the site symmetry. The low symmetry and the unusually large values of the crystal field parameters b20 and b22 have made it necessary to use a numerical fitting procedure, starting from the exact numerical diagonalization of the energy matrix for any given direction of the static magnetic field.

LOW SYMMETRY CRYSTAL FIELD IN LITHIUM SPINEL

1971 ◽  
Vol 32 (C1) ◽  
pp. C1-847-C1-849
Author(s):  
M. P. PIETROV ◽  
H. SZYMCZAK ◽  
R. WADAS ◽  
W. WARDZYNSKI
Keyword(s):  
Crystal Field ◽  
Low Symmetry

An Intuitive Method for the Determination of Crystal-Field Parameters in Laser Crystals

1993 ◽  
Vol 329 ◽  
Author(s):  
Frederick G. Anderson ◽  
H. Weidner ◽  
P. L. Summers ◽  
R. E. Peale ◽  
B. H. T. Chai
Keyword(s):  
Crystal Field ◽  
Irreducible Representations ◽  
Laser Crystals ◽  
Intuitive Method ◽  
Crystal Field Parameters ◽  
Intuitive Interpretation

AbstractExpanding the crystal field in terms of operators that transform as the irreducible representations of the Td group leads to an intuitive interpretation of the crystal-field parameters. We apply this method to the crystal field experienced by Nd3+ dopants in the laser crystals YLiF4, YVO4, and KLiYF5.

Ground configuration splitting in UCl5

1977 ◽  
Vol 55 (10) ◽  
pp. 937-942 ◽  
Author(s):  
A. F. Leung ◽  
Ying-Ming Poon
Keyword(s):  
Crystal Field ◽  
Energy Levels ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Constant ◽  
Point Charge Model ◽  
X Ray Crystallography ◽  
Charge Model ◽  
Crystal Field Parameters

The absorption spectra of UCl5 single crystal were observed in the region between 0.6 and 2.4 μm at room, 77, and 4.2 K temperatures. Five pure electronic transitions were assigned at 11 665, 9772, 8950, 6643, and 4300 cm−1. The energy levels associated with these transitions were identified as the splittings of the 5f1 ground configuration under the influence of the spin–orbit coupling and a crystal field of C2v symmetry. The number of crystal field parameters was reduced by assuming the point-charge model where the positions of the ions were determined by X-ray crystallography. Then, the crystal field parameters and the spin–orbit coupling constant were calculated to be [Formula: see text],[Formula: see text], [Formula: see text], and ξ = 1760 cm−1. The vibronic analysis showed that the 90, 200, and 320 cm−1 modes were similar to the T2u(v6), T1u(v4), and T1u(v3) of an UCl6− octahedron, respectively.

Studies of local structures for Cu2+ centers in M2Zn(SO4)2·6H2O (M = NH4 and Rb) crystals

2021 ◽  
Vol 76 (4) ◽  
pp. 299-304
Author(s):  
Fu Chen ◽  
Jian-Rong Yang ◽  
Zi-Fa Zhou
Keyword(s):  
Crystal Field ◽  
Elongation Ratio ◽  
Paramagnetic Resonance ◽  
Local Structures ◽  
Epr Parameters ◽  
Structure Constants ◽  
Crystal Field Parameters ◽  
Electron Paramagnetic ◽  
Theoretical Results ◽  
Good Agreement

Abstract The electron paramagnetic resonance (EPR) parameters (g factor g i , and hyperfine structure constants A i , with i = x, y, z) and local structures for Cu2+ centers in M2Zn(SO4)2·6H2O (M = NH4 and Rb) are theoretically investigated using the high order perturbation formulas of these EPR parameters for a 3d 9 ion under orthorhombically elongated octahedra. In the calculations, contribution to these EPR parameters due to the admixture of d-orbitals in the ground state wave function of the Cu2+ ion are taken into account based on the cluster approach, and the required crystal-field parameters are estimated from the superposition model which enables correlation of the crystal-field parameters and hence the studied EPR parameters with the local structures of the Cu2+ centers. Based on the calculations, the Cu–H2O bonds are found to suffer the axial elongation ratio δ of about 3 and 2.9% along the z-axis, meanwhile, the planar bond lengths may experience variation ratio τ (≈3.8 and 1%) along x- and y-axis for Cu2+ center in (NH4)2Zn(SO4)2·6H2O and Rb2Zn(SO4)2·6H2O, respectively. The theoretical results show good agreement with the observed values.

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