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Effect of stoichiometry on the magnetocrystalline anisotropy of Fe-Pt and Co-Pt from first-principles calculation
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
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2014 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 26, no 38, 386002- p.Article in journal (Refereed) Published
Abstract [en]

The effect of stoichiometry on magnetocrystalline anisotropy energy (MAE) of Fe1+xPt1-x and Co1+xPt1-x (-0.5 < x < 0.5) is studied by use of first-principles method. The calculated MAEs show maxima at x = 0 for both fully L1(0)-ordered systems. Compared with that, the MAEs of partially L1(0)-ordered systems reduce but their composition dependences do not change, without shift of the maximum MAE to Fe/Co-rich alloy as found in experiment at room temperature. In the off-stoichiometric alloys, the misoccupied Fe/Co and Pt show large MAEs, which is explained by the enhanced in-plane hybridization between Fe/Co and Pt. The composition dependence of the atom-resolved MAE is governed by the varying number of heterogeneous ligands around the atom. The MAE(T)/MAE(0) is discussed based on spontaneous magnetization and Curie temperature, which suggests that the temperature effect may contribute to the discrepancy between calculation and experiment in the composition dependence of MAE.

Place, publisher, year, edition, pages
2014. Vol. 26, no 38, 386002- p.
Keyword [en]
first-principles, magnetic anisotropy, magnetic recording
National Category
Condensed Matter Physics
URN: urn:nbn:se:kth:diva-153254DOI: 10.1088/0953-8984/26/38/386002ISI: 000341361300011ScopusID: 2-s2.0-84906968072OAI: diva2:754033

QC 20141009

Available from: 2014-10-09 Created: 2014-10-03 Last updated: 2014-10-09Bibliographically approved

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Ruban, Andrei V.
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