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Influence of antisite defects and stacking faults on the magnetocrystalline anisotropy of FePt

Autor(en)
M. Wolloch, Dieter Süss, P. Mohn
Abstrakt

We present density functional theory (DFT) calculations of the magnetic anisotropy energy (MAE) of FePt, which is of great interest for magnetic recording applications. Our data, and the majority of previously calculated results for perfectly ordered crystals, predict a MAE of ∼3.0meV per formula unit, which is significantly larger than experimentally measured values. Analyzing the effects of disorder by introducing stacking faults (SFs) and antisite defects (ASDs) in varying concentrations we are able to reconcile calculations with experimental data and show that even a low concentration of ASDs are able to reduce the MAE of FePt considerably. Investigating the effect of exact exchange and electron correlation within the adiabatic-connection dissipation fluctuation theorem in the random phase approximation (ACDFT-RPA) reveals a significantly smaller influence on the MAE. Thus the effect of disorder, and more specifically ASDs, is the crucial factor in explaining the deviation of common DFT calculations of FePt to experimental measurements.

Organisation(en)
Physik Funktioneller Materialien
Externe Organisation(en)
Università degli Studi di Modena e Reggio Emilia, Technische Universität Wien
Journal
Physical Review B
Band
96
Anzahl der Seiten
8
ISSN
2469-9950
DOI
https://doi.org/10.1103/PhysRevB.96.104408
Publikationsdatum
09-2017
Peer-reviewed
Ja
ÖFOS 2012
103015 Kondensierte Materie
Schlagwörter
ASJC Scopus Sachgebiete
Electronic, Optical and Magnetic Materials, Condensed Matter Physics
Link zum Portal
https://ucrisportal.univie.ac.at/de/publications/78ed1c67-02dd-4489-a88c-4ce9725bdde4