Magnetic and Optical Studies on anS= 6 Ground-State Cluster [Cr12O9(OH)3(O2CCMe3)15]:  Determination of, and the Relationship Between, Single-Ion and Cluster Spin Hamiltonian Parameters

2003 ◽  
Vol 42 (17) ◽  
pp. 5293-5303 ◽  
Author(s):  
David Collison ◽  
Mark Murrie ◽  
Vasily S. Oganesyan ◽  
Stergios Piligkos ◽  
Nigel R. J. Poolton ◽  
...  
Keyword(s):  
Ground State ◽  
Spin Hamiltonian ◽  
Optical Studies ◽  
Hamiltonian Parameters ◽  
The Relationship

The Refined Structure of ThS2 and the Implications on the Superposition Model Analysis of ThS2: Gd3+ Spin Hamiltonian Parameters

1984 ◽  
Vol 39 (8) ◽  
pp. 778-782 ◽  
Author(s):  
G. Amoretti ◽  
G. Calestani ◽  
D. C. Giori
Keyword(s):  
Accurate Determination ◽  
Superposition Model ◽  
Spin Hamiltonian ◽  
Host Crystal ◽  
Intrinsic Parameter ◽  
The Mean ◽  
Crystal Field Parameters ◽  
Hamiltonian Parameters ◽  
Metal Ligand

The crystal structure of ThS2 has been refined starting from single crystal diffractometry data. The accurate determination of the positional parameters allows us to reexamine the SPM analysis of the second degree crystal field parameters for Gd3+ in ThS2 matrix. The fitting of the EPR data is still possible by means of a suitable two exponents power law for the intrinsic parameter only if the substitutional Gd3+ ion displaces in the mirror (bc) plane with respect to the undistorted Th4+ site. The resulting increase of the mean metal-ligand distances agrees with the expected expansion of the ligand cage around the trivalent Gd ion. The applicability of the proposed method to examine the impurity induced distortions in an host crystal is discussed too.

Investigations of the defect structure for Cu2+ in LaSrGa0.995Cu0.005O4 Ceramics

2015 ◽  
Vol 29 (25n26) ◽  
pp. 1542015 ◽  
Author(s):  
C. C. Ding ◽  
S. Y. Wu ◽  
Y. K. Cheng ◽  
L. J. Zhang
Keyword(s):  
Hyperfine Structure ◽  
Defect Structure ◽  
Teller Effect ◽  
Spin Hamiltonian ◽  
Elongation Ratio ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Structure Constants ◽  
Hamiltonian Parameters ◽  
The Relationship

The defect structure and spin Hamiltonian parameters ([Formula: see text] factors [Formula: see text], [Formula: see text] and the hyperfine structure constants [Formula: see text] and [Formula: see text]) for the tetragonal [Formula: see text] in [Formula: see text] ceramics are theoretically studied from the perturbation formulas of these parameters for a [Formula: see text] ion in a tetragonally elongated octahedron. The impurity [Formula: see text] center exhibits the larger relative tetragonal elongation ratio [Formula: see text] than that [Formula: see text] of the host [Formula: see text] site due to the Jahn–Teller effect. The relationship between the [Formula: see text] anisotropy [Formula: see text] [Formula: see text] and the local tetragonal distortion is analyzed. The present studies would be helpful to the understandings of delocalization of the [Formula: see text] [Formula: see text] orbitals under tetragonal elongation distortion and its role in superconductivity of oxygen cuprates.

scholarly journals An EPR and Optical Study of VO2+ in Bis (Glycine) Cadmium Chloride Single Crystals

2007 ◽  
Vol 62 (7-8) ◽  
pp. 462-466
Author(s):  
Puthiya Nayagam Selvakumar ◽  
Veeraghava Perumal Subbulakshmi ◽  
Poornachari Subramanian
Keyword(s):  
Single Crystals ◽  
Spectral Data ◽  
Molecular Orbital ◽  
Cadmium Chloride ◽  
Optical Study ◽  
Spin Hamiltonian ◽  
Optical Studies ◽  
Bonding Parameters ◽  
Hamiltonian Parameters

Results of EPR and optical studies of VO2+ doped in bis (glycine) cadmium(II) chloride, belonging to a third site as a substitutional one are reported. The spin Hamiltonian parameters obtained for the site are gzz= 1.9159, gyy= 1.9695, gxx= 1.9853, Azz= 210.4 G, Ayy= 109.8 G, and Axx= 107.0 G. By correlating the EPR and spectral data, the molecular orbital bonding parameters have been evaluated.

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