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