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Exchange interactio...
Exchange interactions in paramagnetic amorphous and disordered crystalline CrN-based systems
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- Lindmaa, Alexander (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Lizarraga, R (författare)
- University of Austral Chile, Chile
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- Holmstrom, E (författare)
- University of Austral Chile, Chile
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- Abrikosov, Igor (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Alling, Björn (författare)
- Linköpings universitet,Tunnfilmsfysik,Tekniska högskolan
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(creator_code:org_t)
- American Physical Society, 2013
- 2013
- Engelska.
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 88:5
- Relaterad länk:
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https://liu.diva-por... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- We present a first principles supercell methodology for the calculation of exchange interactions of magnetic materials with arbitrary degrees of structural and chemical disorder in their high temperature paramagnetic state. It is based on a projection of the total magnetic energy of the system onto local pair clusters, allowing the interactions to vary independently as a response to their local environments. We demonstrate our method by deriving the distance dependent exchange interactions in vibrating crystalline CrN, a Ti0.5Cr0.5N solid solution as well as in amorphous CrN. Our method reveals strong local environment effects in all three systems. In the amorphous case we use the full set of exchange interactions in a search for the noncollinear magnetic ground state.
Nyckelord
- TECHNOLOGY
- TEKNIKVETENSKAP
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- art (ämneskategori)
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