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Structure and magnetism of near-stoichiometric FePd nanoparticles

We investigate from first principles the energetic order of single crystalline L1 0-ordered and multiply twinned morphologies of FePd nanoparticles close to the stoichiometric composition considering up to 561 atoms. The results are related to previous analogous calculations of FePt and CoPt nanoparticles. We find that compared to the isoelectronic FePt alloy, multiply twinned structures are slightly favored in energy, while the latent tendencies to form a layered antiferromagnetic structure in the L10 phase are less pronounced.

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Einordnung

Datum der Veröffentlichung:
15.12.2008
URN:
urn:nbn:de:hbz:465-20081215-074226-3
DOI:
10.1016/j.jmmm.2008.11.062
Sprache:
Englisch
Ressourcentyp:
Text
Schlagwörter:
Density functional theory; binary transition metal nanoparticles; multiple twinning; iron-palladium alloy
Kollektion:
E-Publikationen
Dewey Dezimal-Klassifikation:
538 Magnetismus
Sachgruppen der Deutschen Nationalbibliographie:
530 Physik
Einrichtung:
Fakultät für Physik, Theoretische Physik
Informationen zur Erstveröffentlichung:
This is the "Authors Accepted Manuscript" of the following article: Gruner, Markus  Ernst; Dannenberg, Antje: "Structure and magnetism of near-stoichiometric FePd nanoparticles" published in: Journal of Magnetism and Magnetic Materials Volume 321, Issue 7, pp. 861-864; Available online 30 November 2008
The final version may be found at: https://doi.org/10.1016/j.jmmm.2008.11.062

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