Investigations on the Hyperfine and Superhyperfine Interaction Parameters for Cs2GeF6:Mn4+

2005 ◽  
Vol 60 (8-9) ◽  
pp. 611-614 ◽  
Author(s):  
Shao-Yi Wu ◽  
Xiu-Ying Gao ◽  
Hui-Ning Dong
Keyword(s):  
Hyperfine Structure ◽  
Structure Constant ◽  
Interaction Parameters ◽  
Cluster Approach ◽  
Hyperfine Structure Constant ◽  
Mixing Coefficients ◽  
Superhyperfine Interaction ◽  
Unpaired Spin ◽  
Orbital Mixing ◽  
Spin Densities

The hyperfine structure constant A and the superhyperfine interaction parameters Aʹ and Bʹ of Cs2GeF6:Mn4+ are theoretically studied by the cluster approach. The orbital mixing coefficients and the unpaired spin densities in 2s, 2pσ and 2pπ fluorine orbitals are obtained from the optical spectra and the impurity-ligand distance of the studied system. Based on a uniform scheme, the parameters A, Aʹ and Bʹ (as well as the g factor) are reasonably explained. The results are discussed, and the unpaired spin densities of the 2s, 2pσ and 2pπ orbitals of the ligand F− are compared with those in previous works.

Theoretical Studies of the EPR g Factors and the Hyperfine Structure Constants of Cr3+ in MgS and SrS

2003 ◽  
Vol 58 (9-10) ◽  
pp. 503-506
Author(s):  
Shao-Yi Wu ◽  
Xiu-Ying Gao ◽  
Wei-Zi Yan
Keyword(s):  
Hyperfine Structure ◽  
Coupling Coefficient ◽  
Structure Constant ◽  
Theoretical Studies ◽  
Spin Orbit ◽  
Cluster Approach ◽  
Hyperfine Structure Constant ◽  
Structure Constants ◽  
G Factors

The EPR g factors and the hyperfine structure constant A factors for Cr3+ in MgS and SrS are theoretically studied by using the two-spin-orbit (S.O.)-coupling-coefficient formulas for a 3d3 ion in octahedra based on the cluster approach. In these formulas, both the contributions due to the S.O. coupling coefficient of the central 3d3 ion and that of ligands are taken into account. Based on these studies, the g and A factors of Cr3+ in both MgS and SrS are satisfactorily explained. The results are discussed.

Studies on the g Factor and Hyperfine Structure Constant for Ir4+ in CdO

2013 ◽  
Vol 344 ◽  
pp. 85-88
Author(s):  
Xian Fen Hu ◽  
Shao Yi Wu ◽  
Chang Chun Ding
Keyword(s):  
Experimental Data ◽  
Hyperfine Structure ◽  
Structure Constant ◽  
Cluster Approach ◽  
G Factor ◽  
Hyperfine Structure Constant ◽  
High Impurity ◽  
Ligand Orbital ◽  
Account Due ◽  
Good Agreement

The isotropic g factor and hyperfine structure constant for Ir4+in CdO are theoretically studied from the perturbation formulas of these parameters for an octahedral 5d5cluster based on the cluster approach. The calculated results show good agreement with the experimental data. The ligand orbital contributions should be taken into account due to significant covalency of the system with high impurity valence state even in the oxide.

Studies of the g Factors and the Hyperfine Structure Constants for the Octahedral Interstitial Mn2+ and Cr+ Impurities in Silicon

2013 ◽  
Vol 68 (5) ◽  
pp. 337-342 ◽  
Author(s):  
Bo-Tao Song ◽  
Shao-Yi Wu ◽  
Zhi-Hong Zhang ◽  
Li-Li Li
Keyword(s):  
Experimental Data ◽  
Charge Transfer ◽  
Hyperfine Structure ◽  
Crystal Field ◽  
Structure Constant ◽  
Cluster Approach ◽  
Hyperfine Structure Constant ◽  
Structure Constants ◽  
Good Agreement ◽  
G Factors

The g factors and the hyperfine structure constants for the octahedral interstitial Mn2+ and Cr+ impurities in silicon are theoretically studied using the perturbation formulas of these parameters for an octahedral 3d5 cluster. In the calculations, both the crystal-field and charge transfer contributions are taken into account in a uniform way, and the related molecular orbital coefficients are quantitatively determined from the cluster approach. The theoretical g factors and the hyperfine structure constants are in good agreement with the experimental data. The charge transfer contribution to the g-shift (≈g-gs, where gs ≈ 2:0023 is the spin only value) is opposite (positive) in sign and about 51% - 116% in magnitude as compared with the crystal-field one for Mn2+ and Cr+, respectively. Nevertheless, the charge transfer contribution to the hyperfine structure constant has the same sign and about 12% - 19% that of the crystal-field one. Importance of the charge transfer contribution shows the order Cr+ < Mn2+ due to increase of the impurity valence state in the same host, especially for the g factor.

Pressure Shifts in the Hyperfine Structure Constant of Potassium

1960 ◽  
Vol 119 (6) ◽  
pp. 1946-1947 ◽  
Author(s):  
Arnold L. Bloom ◽  
John B. Carr
Keyword(s):  
Hyperfine Structure ◽  
Structure Constant ◽  
Hyperfine Structure Constant

Theoretical Studies of the EPR Parameters for Rh+ in NaCl

2010 ◽  
Vol 303-304 ◽  
pp. 125-129
Author(s):  
Zhi Hong Zhang ◽  
Shao Yi Wu ◽  
Pei Xu ◽  
Li Li Li
Keyword(s):  
Structure Constant ◽  
Theoretical Studies ◽  
Spin Orbit Coupling ◽  
Cluster Approach ◽  
Paramagnetic Resonance ◽  
Hyperfine Structure Constant ◽  
Ligand Orbital ◽  
Epr Parameters ◽  
Electron Paramagnetic ◽  
Good Agreement

The electron paramagnetic resonance (EPR) parameters g factor and the hyperfine structure constant A factor for the substitutional Rh+ in NaCl are theoretically studied from the perturbation formulas of these parameters for a 4d8 ion in cubic octahedra. In these formulas, the ligand orbital and spin-orbit coupling contributions which were normally omitted in the previous studies are taken into account using the cluster approach. The calculated g and A factors are in good agreement with the experimental data. The ligand contributions to the EPR parameters are somewhat important and should be considered in the analysis of the EPR spectra for a 4d8 ion in chlorides. The local structure of this center is also discussed.

Level-Crossing-Untersuchung der Hyperfeinstruktur von Sn117 und Sn119 im (5p6s) 3P10-Term des Sn I-Spektrums

1967 ◽  
Vol 22 (12) ◽  
pp. 2001-2004 ◽  
Author(s):  
M. Brieger ◽  
P. Zimmermann
Keyword(s):  
Stable Isotopes ◽  
Hyperfine Structure ◽  
Structure Constant ◽  
Level Crossing ◽  
Hyperfine Structure Constant ◽  
Mean Lifetime

Using the level-crossing technique the following relations between the hyperfine structure constant A and the gj value of the (5p6s)3P10-term were determined for both the stable isotopes Sn117 and Sn119:A117 = — 159,57(4) mK · gJ/1,380; A119 = — 167,01(4) mK · gJ/1,380.From the width of the level-crossing signal a mean lifetime τ = 4,5(7) · 10-9 sec was deduced.

Covalency and EPR hyperfine structure constant of Eu2+ in crystals

1986 ◽  
Vol 119 (2) ◽  
pp. 92-94 ◽  
Author(s):  
Al. Nicula ◽  
O. Panǎ ◽  
L.V. Giurgiu
Keyword(s):  
Hyperfine Structure ◽  
Structure Constant ◽  
Hyperfine Structure Constant
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