Journal Article

FZJ-2019-04016

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Impact of single atomic defects and vacancies on the magnetic anisotropy energy of CoPt thin films

Brahimi, S.Extern* ; Bouzar, H.Extern* ; Lounis, S. (Corresponding author)FZJ*

2019
IOP Publ.80390 Bristol

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Please use a persistent id in citations: doi:10.1088/1361-648X/ab2ffb

Abstract: The impact of surface vacancies and single adatoms on the magnetic properties of tetragonal L10 CoPt thin films is investigated from first principles. We consider Co and Fe single adatoms deposited on a Pt-terminated thin film while a Pt adatom is assumed to be supported by a Co-terminated film. The vacancy is injected in the top-surface layer of the films with both types of termination. After finding the most stable location of the defects, we discuss their magnetic properties tied to those of the substrate and investigate the magnetocrystalline anisotropy energy (MAE). Previous simulations (Brahimi et al 2016 J. Phys.: Condens. Matter 28 496002) predicted a large out-of-plane surface MAE for the Pt-terminated CoPt films (4 meV per f.u.) in contrast to in-plane surface MAE for Co-terminated films (−1 meV per f.u.). Here, we find that the surface MAE is significantly modified upon the presence of the atomic defects. All investigated defects induce an in-plane MAE, which is large enough for Fe adatom and Pt vacancy to switch the surface MAE from out-of-plane to in-plane for the Pt-terminated films. Interestingly, among the investigated defects Pt vacancy has the largest effect on the MAE in contrast to Co vacancy, which induced the smallest but still significant effect. This behavior is explained in terms of the orbital moment anisotropy of the thin films.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)
3. JARA-FIT (JARA-FIT)
4. JARA - HPC (JARA-HPC)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. Dynasore - Dynamical magnetic excitations with spin-orbit interaction in realistic nanostructures (681405) (681405)

Appears in the scientific report 2019

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Database coverage:
; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; NCBI Molecular Biology Database ; National-Konsortium ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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