Published online by Cambridge University Press: 10 February 2011
The 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. Magnetic moments of the Fe overlayer are found to be very different with ∼2.0 μB for Fe on W(100) and ∼2.56 μB for Fe on W(110). The exchange coupling between Fe film and W substrate are also found to be orientation-dependent. The electronic coupling in Fe/W(100) thin film is found to be more long-range, compared to the one in Fe/W(110). These differences could be explained by the differences of local atomic bonding and crystal-field splitting in these two orientations.