Gruner, Markus Ernst:
Antiferromagnetism and segregation in cuboctahedral FePt nanoparticles
2008
In: Journal of physics. D, Applied physics, Jg. 41 (2008), Heft 13, S. 134015 (6 Seiten)
Artikel/Aufsatz in Zeitschrift / Fach: Physik
Zentrale wissenschaftliche Einrichtungen » Center for Nanointegration Duisburg-Essen (CENIDE)
Titel:
Antiferromagnetism and segregation in cuboctahedral FePt nanoparticles
Autor(in):
Gruner, Markus Ernst im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen
Erscheinungsjahr
2008
Erschienen in:
Journal of physics. D, Applied physics, Jg. 41 (2008), Heft 13, S. 134015 (6 Seiten)
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Abstract:

Total energies and magnetic properties of unsupported cuboctahedral near-stoichiometric FePt nanoparticles with up to 561 atoms are compared by means of large scale ab initio calculations within the framework of density functional theory. The results show that for L10 ordered alloys, the two (0 0 1) surfaces perpendicular to the shortened c-axis are preferably covered by Pt atoms. Also, layer-wise antiferromagnetic (AF) configurations are found with practically degenerate energies for perfectly ordered structures. The latent AF tendencies are suppressed by compositional disorder in the core layers.