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Phys. Rev. B 64, 092402 (2001) [4 pages]

Ab initio magnetocrystalline anisotropy calculations for Fe/W(110) and Fe/Mo(110)

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X. Qian1 and W. Hübner1,2
1Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany
2Institut für Theoretische Physik, Karl-Franzens-Universität Graz, Universitätsplatz 5, A-8010 Graz, Austria

Received 23 April 2001; published 30 July 2001

First-principles full-potential linearized augmented plane-wave calculations were performed to evaluate the magnetocrystalline anisotropy energy for Fe monolayers and bilayers on Mo(110) and W(110) substrates. In-plane [11¯0] easy axes were found for these systems due to the large in-plane interface anisotropy. Our theoretical results compare well with previous experimental observations.

© 2001 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.64.092402
DOI:
10.1103/PhysRevB.64.092402
PACS:
75.70.Ak, 71.70.Ej, 75.30.Gw