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

Loading...
Thumbnail Image
Journal Title
Journal ISSN
Volume Title
Conference article in proceedings
Date
2015
Major/Subject
Mcode
Degree programme
Language
en
Pages
S601-S604
Series
Materials Today: Proceedings, Volume 2
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.
Description
Keywords
Ab initio calculations, Magnetic shape memory alloys, Martensitic phase transitions, Tetragonal deformation
Other note
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