Temat: spin Hamiltonian - Katalog OPAC zbiorów

Skocz do pozycji: 1.

Tytuł:: EMR study and superposition model analysis of Cr3+ and Fe3+ impurity ions in mullite powders used in aerospace industry
Autorzy:: Stefaniuk, I.
Rogalska, I..
Powiązania:: https://bibliotekanauki.pl/articles/146307.pdf
Data publikacji:: 2015
Wydawca:: Instytut Chemii i Techniki Jądrowej
Tematy:: electron magnetic resonance (EMR)
mullites
spin Hamiltonian (SH)
superposition model (SPM)
Opis:: In this work, the electron magnetic resonance (EMR) spectra of the mullites powders were measured for different grain sizes (0.07 and 0.12 mm). We have used EMR spectroscopy at X-band, combined with superposition model (SPM) calculations to reveal electronic structure and establish correlations between structure, and surroundings of these complexes.
Źródło:: Nukleonika; 2015, 60, No. 3, part 1; 399-403
0029-5922
1508-5791
Pojawia się w:: Nukleonika
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 2.

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.
Powiązania:: https://bibliotekanauki.pl/articles/146564.pdf
Data publikacji:: 2013
Wydawca:: Instytut Chemii i Techniki Jądrowej
Tematy:: superposition model (SPM)
spin Hamiltonian (SH)
yttrium aluminum perovskite (YAP)
YAlO3
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.
Źródło:: Nukleonika; 2013, 58, 3; 397-400
0029-5922
1508-5791
Pojawia się w:: Nukleonika
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 3.

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.
Powiązania:: https://bibliotekanauki.pl/articles/146266.pdf
Data publikacji:: 2013
Wydawca:: Instytut Chemii i Techniki Jądrowej
Tematy:: [2Fe-2S] cluster
electron magnetic resonance (EMR)
Fe2+ ions
microscopic spin Hamiltonian (MSH)
zero field splitting (ZFS) parameters
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.
Źródło:: Nukleonika; 2013, 58, 3; 347-350
0029-5922
1508-5791
Pojawia się w:: Nukleonika
Dostawca treści:: Biblioteka Nauki

Artykuł

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