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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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Bertaina, Sylvain
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Topics
Publications (8/8 displayed)
- 2024Interplay between magnetisation dynamics and structure in MnCoGe thin films
- 2023Competitive actions of MnSi in the epitaxial growth of Mn5Si3 thin films on Si(111)citations
- 2023Competitive actions of MnSi in the epitaxial growth of Mn5Si3 thin films on Si(111)citations
- 2023Magnetic moment impact on spin-dependent Seebeck coefficient of ferromagnetic thin filmscitations
- 2018Measuring Motional Dynamics of [(CH 3 ) 2 NH 2 ] + in the Perovskite-Like Metal–Organic Framework [(CH 3 ) 2 NH 2 ][Zn(HCOO) 3 ]: The Value of Low-Frequency Electron Paramagnetic Resonancecitations
- 2018Magneto-Structural and Computational Study of a Tetranuclear Copper Complex Displaying Carbonyl-π Interactionscitations
- 2017High Curie temperature Mn 5 Ge 3 thin films produced by non-diffusive reactioncitations
- 2017Structural and Composition Effects on Electronic and Magnetic Properties in Thermoelectric Mn1– x–yCo1+xGe1+y Materialscitations
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article
Structural and Composition Effects on Electronic and Magnetic Properties in Thermoelectric Mn1– x–yCo1+xGe1+y Materials
Abstract
Magnetocaloric effects are of great interest for magnetic refrigeration as well as thermomagnetic energy production. Materials based on MnCoGe have been shown to be promising candidates in this respect. In this study, structural, electronic, and magnetic properties of MnCoGe alloys with several compositions (stoichiometric and Mn-depleted) have been investigated using first-principles calculations based on density functional theory. Their stability in the orthorhombic and hexagonal structure has been determined for different spin configurations. In all materials, the ferromagnetic orthorhombic phase is most stable; however, variation of the composition can lead to a decrease of the energy difference between the equilibrium orthorhombic and hexagonal structure. The magnetic moment is primarily found on the Mn atoms leading to a decrease of the total magnetic moment with decreasing amount of Mn. Using the Boltzmann transport model and the electronic density of states, the spin Seebeck coefficient has been estimated. At room temperature, it is found to be highest in stoichiometric MnCoGe in the orthorhombic crystal structure.