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We present a first-principles study to understand the phenomena of interlayerexchange coupling in Fe/Nb multilayers using the linearized-muffin-tin-orbitalsmethod within the generalized gradient approximation. We find that the exchangecoupling oscillates with both short and long periodicities, which have beenexamined in terms of the Ruderman-Kittel-Kasuya-Yosida (RKKY) model as well asthe quantum well (QW) model. We have investigated the behavior of the exchangecoupling by artificially varying moments of Fe atoms in ferromagnetic layers.For a small moment of Fe, the coupling shows bilinearity in the magneticmoments, implying its RKKY character. However, at higher moments close to thatof bulk Fe, the saturation of long-period oscillations is in accordance withthe QW model. Quantum well dispersions around the Fermi level demonstrate thatthe majority-spin bands contribute largely to the formation of quantum wellstates, which we analyze quantitatively by making use of the phase accumulationmodel. Our analysis indicates that the quantum well model gives a betterdescription of the oscillatory behavior of the exchange coupling in Fe/Nbmultilayers.

Quantum well states in Fe/Nb(001) multilayers: First principles study