Abstract

The electronic and magnetic structures of Mn films with thicknesses of up to 12 monolayerson Fe(001) are investigated by means of first-principles calculations, with a focus on thethicker films. The Mn films show an in-layer antiferromagnetic structure and coupleantiferromagnetically to the Fe substrate. The magnetic moments at the Mn surface and atthe Mn–Fe interface are significantly enhanced, as compared to the respective bulk values.Several surface states are found at the centre of the two-dimensional Brillouin zone, some ofwhich might explain recent experimental scanning tunnelling spectroscopy results.

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