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

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Czechoslovak Journal of Physics Aims and scope

Abstract

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.

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Authors and Affiliations

  1. Institute of Physics ASCR, Na Slovance 2, CZ-182 21, Prague 8, Czech Republic

    Frantisek Maca & Alexander B. Shick

  2. Center for Comput. Materials Science, Getreidemarkt 9/131, A-1060, Vienna, Austria

    Josef Redinger

  3. Department of Physics, Uppsala University, Box 530, S-751 21, Uppsala, Sweden

    Peter M. Oppeneer

Authors
  1. Frantisek Maca
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  2. Alexander B. Shick
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  3. Josef Redinger
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  4. Peter M. Oppeneer
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Maca, F., Shick, A.B., Redinger, J. et al. Structural relaxation and magnetic anisotropy: Co wire at the Pt(111) step edge. Czech J Phys 56, 51–59 (2006). https://doi.org/10.1007/s10582-006-0065-y

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  • DOI: https://doi.org/10.1007/s10582-006-0065-y

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