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Ab initio investiga...
Ab initio investigation of competing antiferromagnetic structures in low Si-content FeMn(PSi) alloy
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- Li, Guijiang (författare)
- KTH,Skolan för industriell teknik och management (ITM),KTH Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
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- Eriksson, Olle (författare)
- Uppsala universitet,Materialteori
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- Johansson, Börje (författare)
- Uppsala universitet,KTH,Skolan för industriell teknik och management (ITM),Materialteori,KTH Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden
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- Vitos, Levente (författare)
- Uppsala universitet,KTH,Skolan för industriell teknik och management (ITM),Materialteori,KTH Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.;Wigner Res Ctr Phys, Res Inst Solid State Phys & Opt, POB 49, H-1525 Budapest, Hungary.
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(creator_code:org_t)
- 2016-05-04
- 2016
- Engelska.
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Ingår i: Journal of Physics. - : Institute of Physics Publishing (IOPP). - 0953-8984 .- 1361-648X. ; 28:21
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- The antiferromagnetic structures of a low Si-content FeMn(PSi) alloy were investigated by first principles calculations. One possible antiferromagnetic structure in supercell along the c-axis was revealed in FeMnP0.75Si0.25 alloy. It was found that atomic disorder occupation between Fe atom on 3f and Mn atoms on 3g sites is responsible for the formation of antiferromagnetic structures. Furthermore the magnetic competition and the coupling between possible AFM supercells along the c and a-axis can promote a non-collinear antiferromagnetic structure. These theoretical investigations help to deeply understand the magnetic order in FeMn(PSi) alloys and benefit to explore the potential magnetocaloric materials in Fe2P-type alloys.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- antiferromagnetic structures
- FeMn(PSi) alloy
- magnetocaloric materials
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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