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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Zelený, Martin
Brno University of Technology
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2024Constant plane shift model: Structure analysis of martensitic phases in Ni50Mn27Ga22Fe1 beyond non-modulated building blockscitations
- 2022Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experimentscitations
- 2022Impact of interstitial elements on the stacking fault energy of an equiatomic CoCrNi medium entropy alloy: theory and experimentscitations
- 2022Localization versus delocalization of d-states within the Ni 2 MnGa Heusler alloycitations
- 2021Ab initio study of Ni2MnGa under shear deformation ; Ab initio studium slitiny Ni2MnGa vystavené smykové deformacicitations
- 2021Effect of electron localization in theoretical design of Ni-Mn-Ga based magnetic shape memory alloyscitations
- 2021Ab initio study of properties of Co- and Cu- doped Ni-Mn-Ga alloys ; Ab initio studium vlastností slitiny Ni-Mn-Ga dopované Co a Cucitations
- 2020Low temperature a/b nanotwins in Ni50Mn25+xGa25x Heusler alloyscitations
- 2020Magnetic and Magneto-Optical Properties of Fe75-xMn25Gax Heusler-like Compoundscitations
- 2020Transformation Paths from Cubic to Low-Symmetry Structures in Heusler Ni2MnGa Compoundcitations
- 2020First-principles study of Zn-doping effects on phase stability and magnetic anisotropy of Ni-Mn-Ga alloyscitations
Places of action
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conferencepaper
Ab initio study of properties of Co- and Cu- doped Ni-Mn-Ga alloys ; Ab initio studium vlastností slitiny Ni-Mn-Ga dopované Co a Cu
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 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. ; Vliv Co a Cu dopování na Ni-Mn-Ga slitinu je studován pomocí výpočtů z prvních principů metodou exaktních muffin-tin orbitalů (EMTO) v kombinaci s aproximací koherentního-potenciálu (CPA). Energetický rozdíl mezi austenitem (A) a nemodulovaným (NM) martenzitem E_A-NM závisí lineárně na koncentraci a distribuci Cu, s minimem pro všechny Cu aomy v Mn podmřížce a maximem pro všechny Cu v Ga podmřížce. U slitin současně dopovaných i Co v Ni podmřížce a Cu v Mn nebo Ga podmřížce jsou účinky jednotlivých příměsí na E_A-NM a (c/a) _NM téměř nezávislé. Slitina s složení Ni46Co4Mn24Ga22Cu4 vykazuje menší rovnovážnný tetrafonální poměr (c/a)_NM a větší E_A-NM ve srovnání se slitinou Ni50Mn25Ga25, což je v souladu s předchozími experimentálními výsledky.