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

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dc.contributor.authorZelený, Martincs
dc.contributor.authorSozinov, Alexeics
dc.contributor.authorBjörkman, Torbjörncs
dc.contributor.authorStraka, Ladislavcs
dc.contributor.authorNieminen, Risto M.cs
dc.coverage.issueS3cs
dc.coverage.volume2cs
dc.date.issued2015-11-06cs
dc.description.abstractThe 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 E_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 E_A-NM and (c/a)_NM and are almost independent. The alloy with composition Ni46Co4Mn24Ga22Cu4 exhibits decreased equilibrium (c/a)_NM and increased E_A-NM in comparison with Ni50Mn25Ga25, which is in agreement with the previous experimental results.en
dc.description.abstractThe 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 E_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 E_A-NM and (c/a)_NM and are almost independent. The alloy with composition Ni46Co4Mn24Ga22Cu4 exhibits decreased equilibrium (c/a)_NM and increased E_A-NM in comparison with Ni50Mn25Ga25, which is in agreement with the previous experimental results.en
dc.formattextcs
dc.format.extentS601-S604cs
dc.format.mimetypeapplication/pdfcs
dc.identifier.citationMaterials Today: Proceedings. 2015, vol. 2, issue S3, p. S601-S604.en
dc.identifier.doi10.1016/j.matpr.2015.07.356cs
dc.identifier.issn2214-7853cs
dc.identifier.orcid0000-0001-6715-4088cs
dc.identifier.other118032cs
dc.identifier.researcheridC-5602-2013cs
dc.identifier.scopus57076741200cs
dc.identifier.urihttp://hdl.handle.net/11012/201043
dc.language.isoencs
dc.publisherElsevier Ltd.cs
dc.relation.ispartofMaterials Today: Proceedingscs
dc.relation.urihttp://www.sciencedirect.com/science/article/pii/S221478531500601Xcs
dc.rightsCreative Commons Attribution-NonCommercial-NoDerivatives 4.0 Internationalcs
dc.rights.accessopenAccesscs
dc.rights.sherpahttp://www.sherpa.ac.uk/romeo/issn/2214-7853/cs
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/cs
dc.subjectMagnetic shape memory alloysen
dc.subjectmartensitic phase transitionsen
dc.subjecttetragonal deformationen
dc.subjectab initio calculationsen
dc.subjectMagnetic shape memory alloys
dc.subjectmartensitic phase transitions
dc.subjecttetragonal deformation
dc.subjectab initio calculations
dc.titleAb initio study of properties of Co- and Cu- doped Ni-Mn-Ga alloysen
dc.title.alternativeAb initio study of properties of Co- and Cu- doped Ni-Mn-Ga alloysen
dc.type.driverconferenceObjecten
dc.type.statusPeer-revieweden
dc.type.versionpublishedVersionen
sync.item.dbidVAV-118032en
sync.item.dbtypeVAVen
sync.item.insts2025.10.14 14:52:09en
sync.item.modts2025.10.14 09:34:24en
thesis.grantorVysoké učení technické v Brně. Fakulta strojního inženýrství. Ústav materiálových věd a inženýrstvícs
thesis.grantorVysoké učení technické v Brně. . Masarykova Univerzita v Brněcs
thesis.grantorVysoké učení technické v Brně. . Helsinki University of Technologycs
thesis.grantorVysoké učení technické v Brně. . Lappeenranta University of Technologycs
thesis.grantorVysoké učení technické v Brně. Fakulta strojního inženýrství. Divize progresívních kovových materiálůcs
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