Modeling magnetism of hexagonal Fe monol
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A. Al-Zubi; G. Bihlmayer; S. Blügel
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Article
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2011
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John Wiley and Sons
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English
⚖ 458 KB
## 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