Hyperfine fields in Fe-Cr thin films

We have calculated the electronic structure of the 2Cr/3Fe/2Cr slab in bcc( 1 1 0) geometry using FLAPW method in the local spin density approximation (LDA). The main aim of this work was to compare the calculated values of th e hyperfine fields (H-f) with these obtained in the experiment carried out by Zukrowski et al. (J. Magn. Magn. Mater, 1995, 145, 97). Our calculation shows the influence of the ordering on the Fe hyperfine fie lds and for the measured Cr/3.3Fe/Cr film we suggest the existence of two d ifferent H-f values in each Fe plane, differing by 0.4-0.8 T. The magnetic moments of chromium are near 0.7 mu(B) on the surface and oppositely orient ed in the plane, while subsurface moments are small and anti-parallel to ir on spins. The moments of iron atoms on the interface are slightly reduced. (C) 1999 Elsevier Science Ltd. All rights reserved.