THE SPIN HAMILTONIAN PARAMETERS CALCULATION OF 14N AND 15N IN NATURAL TYPE I DIAMOND

The main purpose of this work is to present the ESR spectra and calculate the spin Hamiltonian parameters of 14 N and 15 N impurities in natural diamond. The ESR spectra of diamond crystal were measured on ESR spectrometer operating at X-band microwave frequency. The results of ESR spectra show that the diamond has a P1 center. This center gives rise to three strong resonance absorption peaks at θ = 90°, φ = 0° due to hyperfine interaction between electron spin and nuclear spin of 14 N . The ESR spectra of 15 N impurity consist of two satellites at the same rotation angle (φ). The effects of isolated substitution nitrogen on carbon atom produced a symmetric distortion from Td to C3V symmetry. According to this symmetry, the resonance magnetic field positions of ESR spectra for the rotation angles of 0°, 90° and 180° are almost overlap. The g-factor values and spin Hamiltonian parameters of 14 N and 15 N are: g = 2.0019, A⊥ = 29.73, A‖ = 40.24 and g = 2.0019, A⊥ = −39.90, A‖ = −57.05, respectively.

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

Modern Physics Letters B ◽

10.1142/s0217984907012505 ◽

2007 ◽

Vol 21 (04) ◽

pp. 225-236 ◽

Cited By ~ 2

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.

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

Inorganic Chemistry Frontiers ◽

10.1039/d1qi00522g ◽

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) =...

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