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Ab initio study of properties of Co- and Cu- Doped Ni-Mn-Ga alloys

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Zelený, M.
dc.contributor.author Sozinov, A.
dc.contributor.author Björkman, T.
dc.contributor.author Straka, L.
dc.contributor.author Nieminen, R. M.
dc.date.accessioned 2016-12-16T14:07:43Z
dc.date.issued 2015
dc.identifier.citation Zelený , M , Sozinov , A , Björkman , T , Straka , L & Nieminen , R M 2015 , Ab initio study of properties of Co- and Cu- Doped Ni-Mn-Ga alloys . in International Conference on Martensitic Transformations, ICOMAT-2014 . Materials Today: Proceedings , no. Supplement 3 , vol. 2 , Elsevier , pp. S601-S604 , International Conference on Martensitic Transformations , Bilbao , Spain , 07/07/2014 . https://doi.org/10.1016/j.matpr.2015.07.356 en
dc.identifier.issn 2214-7853
dc.identifier.other PURE UUID: 479703e3-18b9-47ea-be3e-b8da9d39bda3
dc.identifier.other PURE ITEMURL: https://research.aalto.fi/en/publications/479703e3-18b9-47ea-be3e-b8da9d39bda3
dc.identifier.other PURE LINK: http://www.scopus.com/inward/record.url?scp=84955463298&partnerID=8YFLogxK
dc.identifier.other PURE FILEURL: https://research.aalto.fi/files/11744556/1_s2.0_S221478531500601X_main.pdf
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/23781
dc.description.abstract The influence of Co and Cu doping on Ni-Mn-Ga alloy is investigated using the first-principles exact muffin-tin orbital method in combination with the coherent-potential approximation. The energy difference between the austenite (A) and the nonmodulated (NM) martensite δE A-NM depends linearly on the Cu concentration and distribution, with a minimum for all Cu at Mn sites and a maximum for all Cu at Ga sites. For alloys simultaneously doped by Co in Ni sublattice and Cu in Mn or Ga sublattice, the effects of the individual dopants on δE A-NM and (c/a)NM and are almost independent. The alloy with composition Ni46Co4Mn24Ga22Cu4 exhibits decreased equilibrium (c/a)NM and increased δE A-NM in comparison with Ni50Mn25Ga25, which is in agreement with the previous experimental results. en
dc.format.extent S601-S604
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries Materials Today: Proceedings en
dc.relation.ispartofseries Volume 2 en
dc.rights openAccess en
dc.title Ab initio study of properties of Co- and Cu- Doped Ni-Mn-Ga alloys en
dc.type A4 Artikkeli konferenssijulkaisussa fi
dc.description.version Peer reviewed en
dc.contributor.department Brno University of Technology
dc.contributor.department LUT University
dc.contributor.department Department of Applied Physics
dc.contributor.department Department of Engineering Design and Production
dc.subject.keyword Ab initio calculations
dc.subject.keyword Magnetic shape memory alloys
dc.subject.keyword Martensitic phase transitions
dc.subject.keyword Tetragonal deformation
dc.identifier.urn URN:NBN:fi:aalto-201612165958
dc.identifier.doi 10.1016/j.matpr.2015.07.356

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