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

M. Zelený, A. Sozinov, Torbjörn Björkman, L. Straka, R. M. Nieminen

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

8 Citations (Scopus)


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 ΔEA-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 ΔEA-NM and (c/a)NM and are almost independent. The alloy with composition Ni46Co4Mn24Ga22Cu4 exhibits decreased equilibrium (c/a)NM and increased ΔEA-NM in comparison with Ni50Mn25Ga25, which is in agreement with the previous experimental results.
Original languageUndefined/Unknown
Title of host publicationInternational Conference on Martensitic Transformations, ICOMAT-2014
Publication statusPublished - 2015
MoE publication typeA4 Article in a conference publication
Eventconference; 2014-07-06; 2014-07-11 - Bilbao
Duration: 6 Jul 201411 Jul 2014


Conferenceconference; 2014-07-06; 2014-07-11

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