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EMR study and superposition model analysis of Cr3+ and Fe3+ impurity ions in mullite powders used in aerospace industry

Stefaniuk I., Rogalska I..

Nukleonika

2015

Vol. 60, No. 3, part 1

399--403

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.

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

Stefaniuk I., Rudowicz Cz.

Nukleonika

2013

Vol. 58, No. 3

397--400

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.