scholarly journals Investigations of magnetic interactions and spin-Hamiltonian parameters for 4B1(3d3) state ion in a tetragonal crystal field

2005 ◽  
Vol 54 (6) ◽  
pp. 2883
Author(s):  
Yang Zi-Yuan ◽  
Hao Yue
Keyword(s):  
Crystal Field ◽  
Magnetic Interactions ◽  
Spin Hamiltonian ◽  
Tetragonal Crystal ◽  
Hamiltonian Parameters ◽  
Tetragonal Crystal Field

Theoretical investigations of the local distortion and spectral properties for VO2+ in SiO2 Glass

2017 ◽  
Vol 72 (12) ◽  
pp. 1139-1143 ◽  
Author(s):  
Mu-Neng Li ◽  
Zhi-Hong Zhang ◽  
Shao-Yi Wu
Keyword(s):  
Silica Matrix ◽  
Spin Hamiltonian ◽  
Local Distortion ◽  
Crystal Fields ◽  
Tetragonal Crystal ◽  
Theoretical Investigations ◽  
Structure Constants ◽  
Crystal Field Parameters ◽  
Hamiltonian Parameters ◽  
Tetragonal Crystal Field

AbstractThe local distortions and the spin Hamiltonian parameters g factors g∥, g⊥ and the hyperfine structure constants A∥ and A⊥ for isolated vanadyl ions VO2+ doped in SiO2 glass at 700°C are theoretically investigated from the perturbation formulas of these parameters for a 3d1 ion in tetragonally compressed octahedra. In these formulas, the relationships between local structure of VO2+ ions center and the tetragonal crystal field parameters are established. As a result, the distortion of the ligand octahedron is attributed to the strong axial crystal-fields associated with the short V4+–O2− bond due to the strong V=O bonding in the silica matrix. The theoretical spin Hamiltonian parameters obtained in this work show reasonable agreement with the experimental data.

Paramagnetic Resonance of theFe3+Ion in CaWO4(Strong Tetragonal Crystal Field)

1965 ◽  
Vol 138 (3A) ◽  
pp. A918-A924 ◽  
Author(s):  
R. W. Kedzie ◽  
D. H. Lyons ◽  
M. Kestigian
Keyword(s):  
Crystal Field ◽  
Paramagnetic Resonance ◽  
Tetragonal Crystal ◽  
Tetragonal Crystal Field

Investigation of the Spin-Hamiltonian Parameters and the Local Structure of Ni2+ Ions in CsMgX3 (X = Cl, Br, I) Crystals

2008 ◽  
Vol 63 (3-4) ◽  
pp. 188-192
Author(s):  
Qun Wei
Keyword(s):  
Local Structure ◽  
Magnetic Interactions ◽  
Spin Orbit ◽  
Spin Hamiltonian ◽  
Local Structures ◽  
Spin Triplets ◽  
Diagonalization Method ◽  
Hamiltonian Parameters

Taking into account spin-spin (SS), spin-other-orbit (SOO), and orbit-orbit (OO) interactions in addition to general spin-orbit (SO) interactions, the local structures of Ni2+ in CsMgX3 (X = Cl, Br, I) are theoretically investigated by using the complete diagonalization method (CDM). On this basis, it is found that the local angles, at the Ni2+ centres are larger than those, at the hosts. The contributions to the spin-Hamiltonian parameters from spin triplets and slight magnetic interactions are discussed.

Theoretical Studies of the Spin Hamiltonian Parameters and Local Distortions for Cu2+ in Alkaline Earth Lead Zinc Phosphate Glasses

2016 ◽  
Vol 71 (8) ◽  
pp. 769-775 ◽  
Author(s):  
Bo-Kun Wang ◽  
Shao-Yi Wu ◽  
Zi-Yi Yuan ◽  
Zi-Xuan Liu ◽  
Shi-Xin Jiang ◽  
...  
Keyword(s):  
Field Strength ◽  
Crystal Field ◽  
Alkaline Earth ◽  
Zinc Phosphate ◽  
Phosphate Glasses ◽  
Spin Hamiltonian ◽  
Local Structures ◽  
Crystal Field Strength ◽  
Lead Zinc ◽  
Hamiltonian Parameters

AbstractThe spin Hamiltonian parameters and local structures are theoretically studied for Cu2+-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d9 cluster. The relative elongation ratios are found to be ρ≈3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu2+–O2− electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Ba<Ca<Sr) of ρ is largely due to the decreasing crystal-field strength Dq and hence the decreasing force constant of the Cu2+–O2− bonds. The present studies would be helpful to understand local structures and the influences on the optical properties of RPPZ glasses containing copper dopants.

INVESTIGATIONS OF THE EPR PARAMETERS FORDy3+CENTER INZrSiO4CRYSTAL

2010 ◽  
Vol 24 (03) ◽  
pp. 289-296 ◽  
Author(s):  
HUI-NING DONG ◽  
DENG-FENG LI ◽  
JUN LIU ◽  
DAVID J. KEEBLE
Keyword(s):  
Crystal Field ◽  
Tetragonal Symmetry ◽  
Spin Orbit Coupling ◽  
Spin Hamiltonian ◽  
Field Interaction ◽  
Paramagnetic Resonance ◽  
Epr Parameters ◽  
Structure Constants ◽  
Hamiltonian Parameters ◽  
G Factors

The electronic paramagnetic resonance g factors g‖, g⊥of Dy3+centers and the hyperfine structure constants A‖and A⊥of161Dy3+and163Dy3+isotopes in ZrSiO4crystal are theoretically studied from the perturbation formulas of the spin Hamiltonian parameters for a 4f9ion in tetragonal symmetry. In these formulas, the contributions to g factors due to the J-mixing among the ground6H15/2, the first excited6H13/2and second excited6H11/2states via crystal-field interaction, the admixtures among the states with the same J value via spin-orbit coupling interaction and the interactions between the lowest Kramers doublet Γγ and other 20 Kramers doublets ΓXwithin the states6HJ(J=15/2, 13/2 and 11/2) via crystal-field and orbital angular momentum interactions are considered. The calculated EPR parameters show reasonable agreement with the observed values. The results are discussed.

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