Magnetism of free and supported clusters: a comparative study

• Authors: OndÅ™ej Å ipr , Ján Minár , Hubert Ebert
• Languages of publication: EN

Abstracts

EN

The presented work investigates the differences in magnetic properties of free and supported clusters via ab-initio calculations. The electronic structure of the clusters was calculated using a spin polarized relativistic multiple-scattering Green’s function formalism. We focus on Fe clusters of 2–9 atoms, either free or supported by Ni(001), and on Co clusters of 2–7 atoms, either free or supported by Au(111). For the supported clusters, the spin and orbital magnetic moments depend on the cluster size nearly monotonically, while for the free clusters large quasi-oscillations of magnetic moments with the cluster size were observed. Similarly, for supported clusters, the local spin magnetic moments decrease nearly linearly with increasing coordination number, while for free clusters of the same size range the trend is much more complicated. These findings are consistent with the fact that the spectral distribution function contains much sharper features for free clusters than for supported clusters.

Keywords

EN

clusters; magnetism; ab-initio calculations

Discipline

• 73.22.Dj: Single particle states
• 75.10.Lp: Band and itinerant models

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2009
• Volume: 7
• Issue: 2
• Pages: 257-263

Dates

published

1 - 6 - 2009

online

26 - 4 - 2009

Contributors

author

Ondřej Šipr

• Institute of Physics of the AS CR v. v. i., Cukrovarnická 10, CZ-162 53, Prague, Czech Republic

author

Ján Minár

• Department Chemie und Biochemie, Universität München, Butenandtstr. 5-13, D-81377, München, Germany

author

Hubert Ebert

• Department Chemie und Biochemie, Universität München, Butenandtstr. 5-13, D-81377, München, Germany

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Identifiers

DOI

10.2478/s11534-008-0158-2