First-principles study of Co- and Cu-doped Ni2MnGa along the tetragonal deformation path

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26210%2F14%3APU109040" target="_blank" >RIV/00216305:26210/14:PU109040 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevB.89.184103" target="_blank" >http://dx.doi.org/10.1103/PhysRevB.89.184103</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevB.89.184103" target="_blank" >10.1103/PhysRevB.89.184103</a>

Result language
angličtina
Original language name
First-principles study of Co- and Cu-doped Ni2MnGa along the tetragonal deformation path
Original language description
The influence of Co and Cu doping on Ni-Mn-Ga Heusler alloy is investigated using the first-principles exact muffin-tin orbital method in combination with the coherent-potential approximation. Single-element doping and simultaneous doping by both elements are investigated in Ni50-xCoxMn25-yGa25-zCuy+z alloys, with dopant concentrations x, y, and z up to 7.5 at. %. Doping with Co in the Ni sublattice decreases the (c/a)NM ratio of the nonmodulated (NM) martensite, but it simultaneously increases the cubic phase stability with respect to the NM phase. Doping with Cu in the Mn or in Ga sublattices does not change the (c/a)NM ratio significantly and it decreases the cubic phase stability. For simultaneous doping by Co in the Ni sublattice and Cu in the Mn or Ga sublattices, the effects of the individual dopants are independent and about the same as for the single-element doping. Thus, the (c/a)NM ratio can be adjusted by Co doping while the phase stability can be balanced by Cu doping, resulting in stable martensite with a reduced (c/a)NM. The local stability of the cubic phase with respect to the tetragonal deformation can be understood on the basis of a density-of-states analysis.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
<a href="/en/project/ED0002%2F01%2F01" target="_blank" >ED0002/01/01: NETME Centre (New Technologies for Mechanical Engineering)</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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