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Magnetic effect on the interfacial energy of the Ni(111)/Cr(110) interface
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
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2014 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 26, no 35, 355001- p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2014. Vol. 26, no 35, 355001- p.
Keyword [en]
ab initio, interfacial energy, Ni/Cr interface, work of separation
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-152561DOI: 10.1088/0953-8984/26/35/355001ISI: 000341110600003ScopusID: 2-s2.0-84906086132OAI: diva2:750614
Swedish Research CouncilEU, European Research CouncilThe Swedish Foundation for International Cooperation in Research and Higher Education (STINT)Carl Tryggers foundation

QC 20140929

Available from: 2014-09-29 Created: 2014-09-29 Last updated: 2014-09-29Bibliographically approved

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Lu, SongJohansson, BörjeVitos, Levente
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