<div class="csl-bib-body">
<div class="csl-entry">Steiner, S., Khmelevskyi, S., Marsmann, M., & Kresse, G. (2016). Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered Fe₁₋ₓCoₓ alloys. <i>Physical Review B</i>, <i>93</i>(22), Article 224425. https://doi.org/10.1103/physrevb.93.224425</div>
</div>
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dc.identifier.issn
2469-9950
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/149484
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dc.description.abstract
The magnetic anisotropy energy of tetragonally distorted disordered alloys Fe 1−xCox is calculated by two different virtual crystal approximation methods and an averaged supercell method within the projectedaugmented-
wave (PAW) methodology and the magnetic force theorem. The details of the spin-orbit coupling
implementation in the PAW methodology are given. We compare our results to the recent coherent potential approximation (CPA) studies, results of full potential calculations, and to the available experiments.
en
dc.language.iso
en
-
dc.relation.ispartof
Physical Review B
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dc.subject
Magnetic anisotropy
en
dc.subject
Disordered alloys
en
dc.subject
Density functional theory
en
dc.subject
Condensed Matter, Materials & Applied Physics
en
dc.title
Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered Fe₁₋ₓCoₓ alloys
en
dc.type
Artikel
de
dc.type
Article
en
dc.type.category
Original Research Article
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tuw.container.volume
93
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tuw.container.issue
22
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tuw.journal.peerreviewed
true
-
tuw.peerreviewed
true
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tuw.researchTopic.id
M2
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tuw.researchTopic.name
Materials Characterization
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tuw.researchTopic.value
100
-
dcterms.isPartOf.title
Physical Review B
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tuw.publication.orgunit
E134-01 - Forschungsbereich Applied and Computational Physics
