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Illustrative view on the magnetocrystalline anisotropy of adatoms and monolayers

Citace:
ŠIPR, O., MANKOVSKY, S., POLESYA, S., BORNEMANN, S., MINÁR, J., EBERT, H. Illustrative view on the magnetocrystalline anisotropy of adatoms and monolayers. PHYSICAL REVIEW B, 2016, roč. 93, č. 17, s. '174409-1'-'174409-13'. ISSN: 2469-9950
Druh: ČLÁNEK
Jazyk publikace: eng
Anglický název: Illustrative view on the magnetocrystalline anisotropy of adatoms and monolayers
Rok vydání: 2016
Autoři: Ondřej Šipr , S. Mankovsky , S. Polesya , S. Bornemann , Doc.Dr. Jan Minár , H. Ebert
Abstrakt EN: Although it has been known for decades that magnetocrystalline anisotropy is linked to spin-orbit coupling (SOC), the mechanism of how it arises for specific systems is still a subject of debate. We focused on finding markers of SOC in the density of states (DOS) and on using them to understand the source of magnetocrystalline anisotropy for the case of adatoms and monolayers. Fully relativistic ab initio Korringa-Kohn-Rostoker Green?sfunction calculations were performed for Fe, Co, and Ni adatoms and monolayers on Au(111) to investigate changes in the orbital-resolved DOS due to a rotation of magnetization. In this way, one can see that a significant contribution to magnetocrystalline anisotropy for adatoms comes from pushing the SOC-split states above or below the Fermi level. As a result of this, the magnetocrystalline anisotropy energy depends crucially on the position of the energy bands of the adatom with respect to the Fermi level of the substrate. This view is supported by model crystal-field Hamiltonian calculations.
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