Structural and magnetic properties of ternary Fe1–xMnxPt nanoalloys from first principles
Background: Structural and magnetic properties of binary Mn–Pt and ternary Fe1–xMnxPt nanoparticles in the size range of up to 2.5 nm (561 atoms) have been explored systematically by means of large scale first principles calculations in the framework of density functional theory. For each compositio...
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doaj-f71d23caecbd4ce9b818bd16d73346512020-11-24T21:19:11ZengBeilstein-InstitutBeilstein Journal of Nanotechnology2190-42862011-03-012116217210.3762/bjnano.2.202190-4286-2-20Structural and magnetic properties of ternary Fe1–xMnxPt nanoalloys from first principlesMarkus E. Gruner0Peter Entel1Faculty of Physics and Center for Nanointegration, CeNIDE, University of Duisburg-Essen, D-47048 Duisburg, GermanyFaculty of Physics and Center for Nanointegration, CeNIDE, University of Duisburg-Essen, D-47048 Duisburg, GermanyBackground: Structural and magnetic properties of binary Mn–Pt and ternary Fe1–xMnxPt nanoparticles in the size range of up to 2.5 nm (561 atoms) have been explored systematically by means of large scale first principles calculations in the framework of density functional theory. For each composition several magnetic and structural configurations have been compared.Results: The concentration dependence of magnetization and structural properties of the ternary systems are in good agreement with previous bulk and thin film measurements. At an intermediate Mn-content around x = 0.25 a crossover between several phases with magnetic and structural properties is encountered, which may be interesting for exploitation in functional devices.Conclusion: Addition of Mn effectively increases the stability of single crystalline L10 particles over multiply twinned morphologies. This, however, compromises the stability of the ferromagnetic phase due to an increased number of antiferromagnetic interactions. The consequence is that only small additions of Mn can be tolerated for data recording applications.https://doi.org/10.3762/bjnano.2.20density functional theoryFe–Ptmagnetic data recordingmagnetostructural transitionMn–Pt |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Markus E. Gruner Peter Entel |
spellingShingle |
Markus E. Gruner Peter Entel Structural and magnetic properties of ternary Fe1–xMnxPt nanoalloys from first principles Beilstein Journal of Nanotechnology density functional theory Fe–Pt magnetic data recording magnetostructural transition Mn–Pt |
author_facet |
Markus E. Gruner Peter Entel |
author_sort |
Markus E. Gruner |
title |
Structural and magnetic properties of ternary Fe1–xMnxPt nanoalloys from first principles |
title_short |
Structural and magnetic properties of ternary Fe1–xMnxPt nanoalloys from first principles |
title_full |
Structural and magnetic properties of ternary Fe1–xMnxPt nanoalloys from first principles |
title_fullStr |
Structural and magnetic properties of ternary Fe1–xMnxPt nanoalloys from first principles |
title_full_unstemmed |
Structural and magnetic properties of ternary Fe1–xMnxPt nanoalloys from first principles |
title_sort |
structural and magnetic properties of ternary fe1–xmnxpt nanoalloys from first principles |
publisher |
Beilstein-Institut |
series |
Beilstein Journal of Nanotechnology |
issn |
2190-4286 |
publishDate |
2011-03-01 |
description |
Background: Structural and magnetic properties of binary Mn–Pt and ternary Fe1–xMnxPt nanoparticles in the size range of up to 2.5 nm (561 atoms) have been explored systematically by means of large scale first principles calculations in the framework of density functional theory. For each composition several magnetic and structural configurations have been compared.Results: The concentration dependence of magnetization and structural properties of the ternary systems are in good agreement with previous bulk and thin film measurements. At an intermediate Mn-content around x = 0.25 a crossover between several phases with magnetic and structural properties is encountered, which may be interesting for exploitation in functional devices.Conclusion: Addition of Mn effectively increases the stability of single crystalline L10 particles over multiply twinned morphologies. This, however, compromises the stability of the ferromagnetic phase due to an increased number of antiferromagnetic interactions. The consequence is that only small additions of Mn can be tolerated for data recording applications. |
topic |
density functional theory Fe–Pt magnetic data recording magnetostructural transition Mn–Pt |
url |
https://doi.org/10.3762/bjnano.2.20 |
work_keys_str_mv |
AT markusegruner structuralandmagneticpropertiesofternaryfe1xmnxptnanoalloysfromfirstprinciples AT peterentel structuralandmagneticpropertiesofternaryfe1xmnxptnanoalloysfromfirstprinciples |
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1726006579685228544 |