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Modeling magnetism of hexagonal Fe monolayers on 4d substrates

✍ Scribed by A. Al-Zubi; G. Bihlmayer; S. Blügel

Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
458 KB
Volume
248
Category
Article
ISSN
0370-1972

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✦ Synopsis

Abstract

Mapping the total energies obtained from first principles calculations to model Hamiltonians is a powerful technique to explore the magnetic ground state of a system. We analyze the applicability of this approach in the presence of highly polarizable substrates, e.g. for an ultrathin Fe layer on Pd(111), Rh(111), Ru(0001), or Tc(0001). We find that the traditionally accepted model Hamiltonians (Heisenberg plus nearest neighbor higher‐order spin Hamiltonians) are not sufficient to capture the magnetic interactions in these systems and examine new terms that can be included to improve the description. Challenges for this technique are exemplified by the double‐rowwise antiferromagnetic (AFM) ground state predicted for Fe/Rh(111).

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