Theoretical research on the spin-Hamiltonian parameters of the rhombic W5+ centers in CaWO4:Y3+ crystal

2016 ◽  
Vol 483 ◽  
pp. 78-81 ◽  
Author(s):  
Yang Mei ◽  
Cheng-Fu Wei ◽  
Wen-Chen Zheng
Keyword(s):  
Theoretical Research ◽  
Spin Hamiltonian ◽  
Hamiltonian Parameters

ESR STUDY OF SPIN-HAMILTONIAN PARAMETERS AND CRYSTAL FIELD ENERGY LEVELS FOR THE LOW C3 SYMMETRY Fe3+ CENTER IN GREEN SAPPHIRE CRYSTALS AND POWDER

2007 ◽  
Vol 21 (04) ◽  
pp. 225-236 ◽  
Author(s):  
P. LIMSUWAN ◽  
N. UDOMKAN ◽  
P. WINOTAI
Keyword(s):  
Rotation Angle ◽  
Energy Levels ◽  
Heat Treating ◽  
Esr Spectra ◽  
Field Energy ◽  
Hamiltonian Matrix ◽  
Magnetic Field Direction ◽  
Spin Hamiltonian ◽  
Corundum Structure ◽  
Hamiltonian Parameters

In this report, Fe 3+ impurity ions present in green sapphire ( Al 2 O 3) were studied experimentally, by heating a light green sapphire in flowing oxygen atmosphere for 12 h from 1200, 1300, 1400, 1500 and 1600°C, respectively. Electron spin resonance (ESR) spectra in X-band (~9.45 GHz ) were recorded by mounting the crystal with the c-axis perpendicular (θ = 90°) to the magnetic field direction. The spectra were recorded and simulated by a numerical diagonalization of spin Hamiltonian matrix in the range from 0 to 180 degrees for every 15 degrees of rotation angle (φ). In our case, only the last two sets of peaks strongly depend on the rotation angle (φ), and each exhibits C 3 symmetry due to two magnetically inequivalent Fe 3+ sites in the corundum structure. For polycrystalline ESR spectra, seven main Fe 3+ ESR absorption peaks occur at the resonance magnetic fields of 100.20, 310.24, 486.80, 525.00, 550.60, 761.00 and 777.00 mT respectively. Specifically, ESR signals show that the number of paramagnetic Fe 3+ ions increase roughly linearly with the heat treating temperature, having the [Formula: see text] ratio ~1.41 at 1600°C.

EPR Spectroscopy Elucidates the Electronic Structure of [FeV(O)(TAML)] Complexes

2021 ◽  
Author(s):  
Yujeong Kim ◽  
Jin Kim ◽  
Linh. K. Nguyen ◽  
Yong-Min Lee ◽  
Wonwoo Nam ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Epr Spectroscopy ◽  
Macrocyclic Ligands ◽  
Spin Hamiltonian ◽  
Pulse Epr ◽  
Hamiltonian Parameters

Multifrequency, multitechnique pulse EPR spectroscopy was employed to unravel the spin Hamiltonian parameters of 17O in the [FeV=O] moiety with two different tetraamido macrocyclic ligands (TAMLs), [FeV(O)(TAML-1)]– (1, H4(TAML-1) =...

Theoretical studies of the spin Hamiltonian parameters for the tetragonal Rh2+centers in MgO and CaO

2009 ◽  
Vol 79 (6) ◽  
pp. 065702 ◽  
Author(s):  
Shao-Yi Wu ◽  
Hua-Ming Zhang ◽  
Yue-Xia Hu ◽  
Xue-Feng Wang
Keyword(s):  
Theoretical Studies ◽  
Spin Hamiltonian ◽  
Hamiltonian Parameters
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