The effect of vacancy ordering on quadrupole shifts in Mössbauer spectra of maghemite

Electric field gradient (EFG) lattice sums for the vacancy-disordered and vacancy-ordered forms of maghemite were evaluated using a point charge model. The calculated EFGs produced a wide range of magnitudes and principal directions for the quadrupole interaction for both forms of maghemite. Small p...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 2011-05, Vol.23 (17), p.176004-6
Main Authors: Spiers, K M, Paganin, D M, Cashion, J D
Format: Article
Language:English
Subjects:
Condensed matter
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Exact sciences and technology
Lattice vacancies
Magnetic resonances and relaxations in condensed matter, mössbauer effect
Mathematical models
Mossbauer effect
Mössbauer effect
other γ-ray spectroscopy
Perturbation methods
Physics
Quadrupole interaction
Quadrupoles
Spectra
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Summary:Electric field gradient (EFG) lattice sums for the vacancy-disordered and vacancy-ordered forms of maghemite were evaluated using a point charge model. The calculated EFGs produced a wide range of magnitudes and principal directions for the quadrupole interaction for both forms of maghemite. Small perturbations of the crystallographic parameters were shown to have a significant effect on the quadrupole shift. The effects observed were significant enough to show that quadrupole shifts should be considered when fitting the Mössbauer spectra of maghemite.
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/23/17/176004