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Magnetic effect on ...
Magnetic effect on the interfacial energy of the Ni(111)/Cr(110) interface
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- Lu, Song (författare)
- KTH,Tillämpad materialfysik
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Zhang, Hualei (författare)
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Hu, Qing-Miao (författare)
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Punkkinen, Marko P. J. (författare)
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- Johansson, Börje (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Uppsala University, Sweden,Materialteori
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- Vitos, Levente (författare)
- KTH,Tillämpad materialfysik,Uppsala University, Sweden
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(creator_code:org_t)
- 2014-07-21
- 2014
- Engelska.
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Ingår i: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 26:35, s. 355001-
- 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 work of separation and interfacial energy of the Ni(1 1 1)/Cr(1 1 0) interface are calculated via first-principles methods. Both coherent and semicoherent interfaces are considered. We find that magnetism has a significant effect on the interfacial energy, i.e. removing magnetism decreases the interfacial energy of the semicoherent interface by around 50% . Electronic, magnetic and atomic structures at the interface are discussed. An averaging scheme is used to estimate the work of separation and interfacial energy of semicoherent interfaces based on the results of coherent interfaces. The limitations of the scheme are discussed.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Nyckelord
- ab initio
- interfacial energy
- Ni/Cr interface
- work of separation
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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