| 摘 要： | Ab initio spin-polarized calculations of the electronic structure of Fe overlayers on the Cr(100) substrate were performed
using full-potential LAPW method. There was found that the magnetic moment of Fe monolayer on Cr(100) aligned antiferromagnetically
with respect to the interface Cr layer and is equal 2.48 μB. The dependence on the Fe film thickness of spin-density distribution near the surface and Fe-Cr interface, is analysed.
The stability of CrFec(2 × 2) substitutional surface alloy on Cr(100) substrate is studied on the basis of electronic structure calculations. The
total energy calculations show that Fe monolayer is unstable against the CrFec(2 × 2) surface alloy formation with ferromagnetic ordering in the layer.
Presented at the VIII-th Symposium on Surface Physics, Třešt’ Castle, Czech Republic, June 28 – July 2, 1999.
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