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.
• Konferencja: Electron Magnetic Resonance Forum EMR-PL (2; 16-18.05.2013; Częstochowa-Hucisko, Poland )
• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

superposition model (SPM); spin Hamiltonian (SH); yttrium aluminum perovskite (YAP); YAlO3

• Wydawca: Institute of Nuclear Chemistry and Technology
• Czasopismo: Nukleonika
• Rocznik: 2013
• Tom: Vol. 58, No. 3
• Strony: 397--400
• Opis fizyczny: Bibliogr. 16 poz., rys.

Twórcy

autor

Stefaniuk I.

• Institute of Physics, University of Rzeszów, 16a Rejtana Str., 35-310 Rzeszów, Poland, Tel.: [phone], Fax: [phone]

autor

Rudowicz Cz.

• Institute of Physics, West Pomeranian University of Technology, 17 Piastów Ave., 70-310 Szczecin, Poland

Bibliografia

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