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

M. Zelený*, A. Sozinov, T. Björkman, L. Straka, R. M. Nieminen

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionScientificpeer-review

8 Citations (Scopus)
164 Downloads (Pure)


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.

Original languageEnglish
Title of host publicationInternational Conference on Martensitic Transformations, ICOMAT-2014
Publication statusPublished - 2015
MoE publication typeA4 Article in a conference publication
EventInternational Conference on Martensitic Transformations - Bilbao, Spain
Duration: 7 Jul 201411 Jul 2014

Publication series

NameMaterials Today: Proceedings
NumberSupplement 3
ISSN (Electronic)2214-7853


ConferenceInternational Conference on Martensitic Transformations
Abbreviated titleICOMAT


  • Ab initio calculations
  • Magnetic shape memory alloys
  • Martensitic phase transitions
  • Tetragonal deformation


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