Clarification of terminological confusion concerning the crystal field quantities vs. the effective spin Hamiltonian and zero-field splitting quantities in the papers by Bayrakçeken et al. [Spectrochim. Acta Part A 66 (2007) 462 and 1291]

2008 ◽  
Vol 71 (4) ◽  
pp. 1623-1626 ◽  
Author(s):  
Czesław Rudowicz
Nukleonika ◽  
2015 ◽  
Vol 60 (3) ◽  
pp. 377-383
Author(s):  
Czesław Rudowicz ◽  
Mirosław Karbowiak

Abstract The interface between optical spectroscopy, electron magnetic resonance (EMR), and magnetism of transition ions forms the intricate web of interrelated notions. Major notions are the physical Hamiltonians, which include the crystal field (CF) (or equivalently ligand field (LF)) Hamiltonians, and the effective spin Hamiltonians (SH), which include the zero-field splitting (ZFS) Hamiltonians as well as to a certain extent also the notion of magnetic anisotropy (MA). Survey of recent literature has revealed that this interface, denoted CF (LF) ↔ SH (ZFS), has become dangerously entangled over the years. The same notion is referred to by three names that are not synonymous: CF (LF), SH (ZFS), and MA. In view of the strong need for systematization of nomenclature aimed at bringing order to the multitude of different Hamiltonians and the associated quantities, we have embarked on this systematization. In this article, we do an overview of our efforts aimed at providing a deeper understanding of the major intricacies occurring at the CF (LF) ↔ SH (ZFS) interface with the focus on the EMR-related problems for transition ions.


2013 ◽  
Vol 740-742 ◽  
pp. 389-392 ◽  
Author(s):  
Ekaterina N. Kalabukhova ◽  
Dariya Savchenko ◽  
Bela Shanina ◽  
Nikolai T. Bagraev ◽  
Leonid Klyachkin ◽  
...  

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.


1966 ◽  
Vol 44 (3) ◽  
pp. 509-523 ◽  
Author(s):  
F. Holuj ◽  
J. R. Thyer ◽  
N. E. Hedgecock

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.


1966 ◽  
Vol 44 (11) ◽  
pp. 2749-2755 ◽  
Author(s):  
N. E. Hedgecock ◽  
S. C. Chakravartty

ESR spectra of Fe+3 located at one of the aluminium sites in cordierite have been investigated at X- and K-band frequencies at room temperature. The spectra exhibit large zero-field splitting and have been fitted to a spin Hamiltonian of orthorhombic symmetry, having constants b20 = 14.6 ± 0.1 kG, b22 = 8.5 ± 0.1 kG, and isotropic g = 2.004 ± 0.002.


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