Czechoslovak Journal of Physics

, Volume 56, Issue 1, pp 51–59 | Cite as

Structural relaxation and magnetic anisotropy: Co wire at the Pt(111) step edge

  • Frantisek Maca
  • Alexander B. Shick
  • Josef Redinger
  • Peter M. Oppeneer


First principles calculations are used to investigate a monatomic Co chain at the Pt(111) surface step edge. We optimize the system geometry minimizing the atomic forces and evaluate the magnetocrystalline anisotropy energy (MAE). The easy magnetization axis is found to align perpendicular to the Co-wire at an angle of ≈ 50° (A-step) and ≈ 30° (B-step) towards the Pt step and the calculated MAE of 2.8meV (A-step) and 4.45 meV (B-step) are in good agreement with experiment. Our calculations show that the structural relaxation improves the quantitative description of the MAE.

Key words

magnetocrystalline anisotropy nanocrystalline materials 


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Copyright information

© Institute of Physics, Academy of Sciences of Czech Republic 2006

Authors and Affiliations

  • Frantisek Maca
    • 1
  • Alexander B. Shick
    • 1
  • Josef Redinger
    • 2
  • Peter M. Oppeneer
    • 3
  1. 1.Institute of Physics ASCRPrague 8Czech Republic
  2. 2.Center for Comput. Materials ScienceViennaAustria
  3. 3.Department of PhysicsUppsala UniversityUppsalaSweden

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