ESR SPECTRUM OF Fe+3 IN TOPAZ: I. FINE STRUCTURE

1967 ◽  
Vol 45 (11) ◽  
pp. 3597-3610 ◽  
Author(s):  
J. R. Thyer ◽  
S. M. Quick ◽  
F. Holuj
Keyword(s):  
Fine Structure ◽  
Zero Field ◽  
Spin Hamiltonian ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Esr Spectrum ◽  
Hamiltonian Parameters ◽  
Near Future ◽  
K Band

ESR spectrum of Fe+3 in topaz (Al2SiO4F2) has been investigated at X- and K-band frequencies. The spectrum, in addition to large zero-field splitting, also shows well-resolved h.f.s. due to 19F at some orientations. The spin-Hamiltonian parameters, which include b21 and b41, are given in the text. The spectrum has been interpreted to originate from Fe+3 impurity located at Al+3 sites. The implications of these results are considered briefly. The results of the analysis of the h.f.s. are to be published in the near future.

ESR SPECTRA OF Fe+3 IN SINGLE CRYSTALS OF ANDALUSITE

1966 ◽  
Vol 44 (3) ◽  
pp. 509-523 ◽  
Author(s):  
F. Holuj ◽  
J. R. Thyer ◽  
N. E. Hedgecock
Keyword(s):  
Single Crystals ◽  
Room Temperature ◽  
Esr Spectra ◽  
Zero Field ◽  
Spin Hamiltonian ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
K Band

ESR spectra of Fe+3 in andalusite have been investigated at X- and K-band frequencies at room temperature. They have been interpreted on the assumption that Fe+3 occupies the two inequivalent Al+3 sites in andalusite. The spectra show large zero-field splitting. The constants of the conventional orthorhombic spin Hamiltonian which fit the spectra are as follows: for site I: b20 = 15.0 ± 0.1 kG, b22 = 5.0 ± 0.1 kG, and isotropic g = 2.001 ± 0.002; for site II: b20 = 20.1 ± 0.1 kG, b22 = 0.075 ± 0.010 kG, and isotropic g = 2.004 ± 0.0005. A study of the intensities of ESR signals due to site I follow a pattern predicted by theory. The implications of these results are considered briefly.

scholarly journals Purely Spectroscopic Determination of the Spin Hamiltonian Parameters in High-Spin Six-Coordinated Cobalt(II) Complexes with Large Zero-Field Splitting

2019 ◽  
Vol 58 (24) ◽  
pp. 16434-16444 ◽  
Author(s):  
Eugenii Ya. Misochko ◽  
Alexander V. Akimov ◽  
Denis V. Korchagin ◽  
Joscha Nehrkorn ◽  
Mykhaylo Ozerov ◽  
...  
Keyword(s):  
High Spin ◽  
Spectroscopic Determination ◽  
Zero Field ◽  
Spin Hamiltonian ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Hamiltonian Parameters

Spin-Hamiltonian parameters and zero-field splitting of impurity Gd3+ ions in SrY2O4 crystal

2019 ◽  
Vol 469 ◽  
pp. 638-642 ◽  
Author(s):  
B.F. Gabbasov ◽  
D.G. Zverev ◽  
I.F. Gilmutdinov ◽  
R.G. Batulin ◽  
A.G. Kiiamov ◽  
...  
Keyword(s):  
Zero Field ◽  
Spin Hamiltonian ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Hamiltonian Parameters

scholarly journals Electronic fine structure calculation of [Gd(DOTA)(H2O)]– using LF-DFT: The zero field splitting

2012 ◽  
Vol 15 (2-3) ◽  
pp. 250-254 ◽  
Author(s):  
Florian Senn ◽  
Lothar Helm ◽  
Alain Borel ◽  
Claude A. Daul
Keyword(s):  
Fine Structure ◽  
Structure Calculation ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting

EPR Study of the Nitrogen Containing Defect Center Created in Self-Assembled 6H SiC Nanostructure

2013 ◽  
Vol 740-742 ◽  
pp. 389-392 ◽  
Author(s):  
Ekaterina N. Kalabukhova ◽  
Dariya Savchenko ◽  
Bela Shanina ◽  
Nikolai T. Bagraev ◽  
Leonid Klyachkin ◽  
...  
Keyword(s):  
The Self ◽  
Zero Field ◽  
Boron Diffusion ◽  
Spin Hamiltonian ◽  
Zero Field Splitting ◽  
Epr Spectrum ◽  
Defect Center ◽  
Field Splitting ◽  
Splitting Constant ◽  
Self Assembled

Triplet center with spin state S = 1 is detected in the EPR spectrum of the self-assembled 6H SiC nanostructure obtained by non-equilibrium boron diffusion into the n-type 6H SiC epitaxial layer (EL) under conditions of the controlled injection of the silicon vacancies at the temperature of T = 900°C. From the analysis of the angular dependences of the EPR spectrum and the numerical diagonalization of the spin Hamiltonian, the value of the zero-field splitting constant D and g-factor are found to be D = 1140•10-4см-1 and gpar = 1.9700, gper = 1.9964. Based on the hyperfine (hf) structure of the defect originating from the hf interaction with one 14N nuclei, the large value of the zero-field splitting constant D and technological conditions of the boron diffusion into the n-type 6H SiC EL, the triplet center is tentatively assigned to the defect center consisting of nitrogen atom and silicon vacancy.

Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC

2010 ◽  
Vol 645-648 ◽  
pp. 403-406 ◽  
Author(s):  
Andreas Scholle ◽  
Siegmund Greulich-Weber ◽  
Eva Rauls ◽  
Wolf Gero Schmidt ◽  
Uwe Gerstmann
Keyword(s):  
Fine Structure ◽  
Room Temperature ◽  
Positive Sign ◽  
Spin Interaction ◽  
Zero Field ◽  
Spin Orbit ◽  
Zero Field Splitting ◽  
Defect Center ◽  
Field Splitting ◽  
Annealing Behavior

In non-annealed 6H-SiC samples that were electron irradiated at room temperature, a new EPR signal due to a S=1 defect center with exceptionally large zero-field splitting (D = +652•10-4 cm-1) has been observed under illumination. A positive sign of D demonstrates that the spin-orbit contribution to the zero-field splitting exceeds by far that of the spin-spin interaction. A principal axis of the fine structure tilted by 59° against the crystal c-axis as well as the exceptionally high zero-field splitting D can be qualitatively understood by the occurrence of additional close-lying defect levels in defect clusters resulting in comparatively large second-order spin-orbit coup¬ling. A tentative assignment to vacancy clusters is supported by the observed annealing behavior.

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