Phys. Rev. B 67, 184414 (2003) [7 pages]Symmetry and substrate effects on magnetic interactions from first principles: A comparison between Fe/W(100) and Fe/W(110)Received 16 September 2002; revised 16 December 2002; published 22 May 2003 The ab initio full-potential linearized augmented plane-wave (FP-LAPW) method was employed to investigate the magnetic properties of 1 monolayer (ML) Fe on W(100) and W(110) substrates. Theoretical study reveals very different characteristics arising from the Fe-Fe and Fe-W interactions in these two systems, which include Fe-W relaxations, magnetic moments, and interlayer exchange couplings. The origin of these differences is considered by the crystal-field effects in these two crystallographic orientations. We show that symmetry plays a crucial role in the Fe-Fe and Fe-W interlayer interactions in Fe/W ultrathin magnetic films. © 2003 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.67.184414
DOI:
10.1103/PhysRevB.67.184414
PACS:
75.70.Ak, 75.70.Cn, 71.70.Ch, 68.43.Bc
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