The structural, electronic and magnetic properties of iron nanowires with different diameters

The electronic structure of iron nanowires with transverse dimensions up to 9 Å was calculated using the density functional theory methods. The calculations were carried out taking into account not only the transverse but also the longitudinal optimization of the structural parameters of nanowires....

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Bibliographic Details
Published in:Low temperature physics (Woodbury, N.Y.) N.Y.), 2012-12, Vol.38 (12), p.1129-1132
Main Authors: Boutko, V. G., Gusev, A. A., Shevtsova, T. N., Pashkevich, Yu. G.
Format: Article
Language:English
Subjects:
Density functional theory
Electronics
Iron
Low temperature physics
Magnetic properties
Mathematical analysis
Nanowires
Optimization
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Summary:The electronic structure of iron nanowires with transverse dimensions up to 9 Å was calculated using the density functional theory methods. The calculations were carried out taking into account not only the transverse but also the longitudinal optimization of the structural parameters of nanowires. It was shown that the magnetic moments of Fe atoms, on average, decrease with increasing the transverse dimensions of the nanowires and increase with the distance from the nanowire axis. Giant magnetic anisotropy energy was obtained for Fe1 and Fe9 structures.
ISSN:1063-777X
1090-6517
DOI:10.1063/1.4770509