Magnetic anisotropy of single Co atom on CuN surface

0326808 - FZÚ 2010 RIV US eng J - Journal Article
Shick, Alexander - Máca, František - Lichtenstein, A.I.
Magnetic anisotropy of single Co atom on CuN surface.
[Magnetická anizotropie atomu Co na povrchu CuN.]
Journal of Applied Physics. Roč. 105, č. 7 (2009), 07C309/1-07C309/3. ISSN 0021-8979. E-ISSN 1089-7550
R&D Projects: GA ČR(CZ) GC202/07/J047
Institutional research plan: CEZ:AV0Z10100520
Keywords : magnetic anisotropy energy * first principle calculations * cobalt * CuN
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 2.072, year: 2009

The magnetic anisotropy energy for a single Co atom on CuN/Cu(001) surface is investigated making use of the first-principles relativistic local spin density approximation (LSDA) calculations and the torque method. A single-ion character of the magnetic anisotropy is revealed, which originates mainly from the local magnetic moment of the Co atom. The effect of the orbital polarization beyond that given by the LSDA is studied making use of the different flavors of the LDA+U method. It is shown that the LDA+U induced orbital polarization affects the orbital component of the magnetic moment for different directions of the Co-atom magnetization and can modify substantially the magnetic anisotropy energy. Comparison with the available experimental data is discussed.

Vyšetřujeme magnetokrystalickou anizotropii pro atom kobaltu na povrchu CuN/Cu(001) pomocí prvoprincipielních relativistických výpočtů v aproximaci lokální hustoty stavů se zahrnutím elektronových korelací v přiblížení LDA+U. Ukazujeme, že indukovaná orbitální polarizace podstatně ovlivňuje magnetickou anizotropii. Výsledky výpočtů porovnáváme s experimentálními daty.
Permanent Link: http://hdl.handle.net/11104/0173801