Autor: Rudowicz, Cz. - Prolib Integro

Skocz do pozycji: 1.

Tytuł:: Higher - order field - dependent terms in spin Hamiltonians for transition ions : implications for high - magnetic field and high - frequency EMR measurements
Autorzy:: Rudowicz, Cz.
Tematy:: electron magnetic resonance (EMR)
high-magnetic field and high-frequency EMR (HMF-EMR)
generalized spin Hamiltonians (GSH)
higher-order field-dependent (HOFD) terms
zero-field splitting (ZFS) terms
transition ions in crystals; Pokaż więcej
Wydawca:: Instytut Chemii i Techniki Jądrowej
Powiązania:: https://bibliotekanauki.pl/articles/148384.pdf Link otwiera się w nowym oknie
Opis:: An overview of theoretical background of the higher-order field-dependent (HOFD) terms in the generalized spin Hamiltonians for transition ions and current status of experimental studies of the HOFD terms is provided in the nutshell. The terms nonlinear in the magnetic field (B) of the type: B2S2, B3S, B5S or B2I2, B3I, B5I, where S and I is the electronic and nuclear spin, respectively, are of particular importance as compared with the usual linear Zeeman term B.g.S. This is due to the high B values, up to 100 T (pulsed fields), achievable at present in the high-magnetic field and/ or high-frequency electron magnetic resonance (HMF-EMR) measurements of magnetic and spectroscopic properties. A blueprint for future theoretical and experimental studies of the HOFD terms is proposed taking into account their implications for HMF-EMR measurements
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 2.

Tytuł:: EMR-related problems at the interface between the crystal field Hamiltonians and the zero-field splitting Hamiltonians
Autorzy:: Rudowicz, Cz.
Karbowiak, M.
Tematy:: crystal/ligand field (CF/LF) Hamiltonian electron magnetic resonance (EMR)
magnetism
optical spectroscopy
transition (3dN and 4fN) ions
zero-field splitting (ZFS); Pokaż więcej
Wydawca:: Instytut Chemii i Techniki Jądrowej
Powiązania:: https://bibliotekanauki.pl/articles/971531.pdf Link otwiera się w nowym oknie
Opis:: 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-fi eld 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.
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 3.

Tytuł:: Computer program superposition model - Monte Carlo (SPM-MC) and its applications in EMR studies of transition ions at low symmetry sites Fe3+ doped YAP crystals
Autorzy:: Stefaniuk, I.
Rudowicz, Cz.
Tematy:: superposition model (SPM)
spin Hamiltonian (SH)
yttrium aluminum perovskite (YAP)
YAlO3; Pokaż więcej
Wydawca:: Instytut Chemii i Techniki Jądrowej
Powiązania:: https://bibliotekanauki.pl/articles/146564.pdf Link otwiera się w nowym oknie
Opis:: An extension of the computer program superposition model-Monte Carlo (SPM-MC), designed for modelling of the spectroscopic and structural properties of transition ions at low symmetry sites in crystals, is presented. Special focus is put on two aspects. The first aspect concerns the effects of variation of the superposition model (SPM) parameters, i.e. the intrinsic parameters (b2, b4) and power low exponents (t2, t4), on the quality of fittings of experimental data and theoretical predictions. This enables to increase the reliability of the modelling results. The second aspect concerns the implications of low site symmetry on modelling of the pertinent properties. Applications of the program SPM-MC to Fe3+ ions at the triclinic (Ci) symmetry sites in YAlO3 (YAP) crystals are considered.
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 4.

Tytuł:: Modelling of EMR data for Fe2+(S=2) ions in a [2Fe-2S] cluster in the reduced ferredoxin
Autorzy:: Rudowicz, Cz.
Piwowarska, D.
Gnutek, P.
Tematy:: [2Fe-2S] cluster
electron magnetic resonance (EMR)
Fe2+ ions
microscopic spin Hamiltonian (MSH)
zero field splitting (ZFS) parameters; Pokaż więcej
Wydawca:: Instytut Chemii i Techniki Jądrowej
Powiązania:: https://bibliotekanauki.pl/articles/146266.pdf Link otwiera się w nowym oknie
Opis:: The modelling techniques employed in this study utilize structural data to enable correlation of EMR data – described by the spin Hamiltonian (SH) and optical spectroscopy data – described by the crystal field (CF) Hamiltonian. These techniques enable also to predict magnetic and spectroscopic properties of 3dN ions, especially 3d4 and 3d6 ions, in various systems. Specific applications are considered for [Fe2+ and Fe3+] binuclear centres in [2Fe-2S] cluster in the reduced ferredoxin and related biological molecules. The background for model calculations of the zero-field splitting (ZFS) parameters and/or crystal field parameters and the capabilities of the two major techniques used will be presented in the full paper. Here, we present preliminary results of the microscopic spin Hamiltonian (MSH) modelling for Fe2+ (3d6) ions in the reduced ferredoxin.
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 5.

Tytuł:: Low-Symmetry Aspects in EPR Spectra of Mn$\text{}^{2+}$ at Bi$\text{}^{3+}$ Sites in BiVO$\text{}_{4}$ Single Crystal
Autorzy:: Yeom, T. H.
Choh, S. H.
Rudowicz, Cz.
Tematy:: 75.10.Dg
76.30.Da
61.16.Hn
78.20.Hp; Pokaż więcej
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Powiązania:: https://bibliotekanauki.pl/articles/1920948.pdf Link otwiera się w nowym oknie
Opis:: Zero-field splitting parameters obtained from EPR X-band experiments of Baran et al. (1985) and Yeom et al. (1992) are reanalyzed. Transformation relations are derived to express the two sets of data in the same axis system. Problems arising from using a truncated zero-field splitting Hamiltonian in fitting the experimental data are elucidated. Low-symmetry aspects in EPR spectra of Mn$\text{}^{2+}$ at Bi$\text{}^{3+}$ sites in BiVO$\text{}_{4}$ single crystal are considered. Good agreement for orthorhombic parameters b$\text{}_{2}^{0}$ and b$\text{}_{2}^{2}$ is obtained indicating that the centres observed in the two cases are the same Mn centres. The remaining b$\text{}_{k}^{q}$ parameters accounting for the actual site symmetry around Mn$\text{}^{2+}$ impurity which seems to be lower than orthorhombic in the ferroelastic phase cannot be unambiguously determined from the existing EPR data.
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 6.

Tytuł:: Editorial
Autorzy:: Rudowicz, Cz.
Sojka, Z.
Jezierska, J.
Pietrzyk, P.
Wydawca:: Instytut Chemii i Techniki Jądrowej
Powiązania:: https://bibliotekanauki.pl/articles/146086.pdf Link otwiera się w nowym oknie
Dostawca treści:: Biblioteka Nauki

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