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Phys. Rev. B 47 (1993) pp. 4810-4813

Magnetic structure near (310) tilt boundaries in iron

K. Hampel and D.D. Vvedensky

The Blackett Laboratory, Imperial College, London SW7 2BZ, United Kingdom

S. Crampin

Institute for Theoretical Physics, Catholic University of Nijmegen, Toernooiveld, NL-6525 ED Nijmegen, The Netherlands

Abstract
The layer Korringa-Kohn-Rostoker method has been used to investigate the electronic and magnetic structure of an isolated Sigma-5 Fe (310) tilt boundary. The calculation shows an enhancement of the local magnetic moment at the grain boundary, which decays away rapidly from the region of the interface. The magnitude and form of the enhancement is similar to that found near iron surfaces from recent tight-binding calculations.