| People | Locations | Statistics |
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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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Khossossi, Nabil
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2023New insights into hydrogen trapping and embrittlement in high strength aluminum alloyscitations
- 2023Computational insights into the superior efficiency of Cs2AgGa(Cl,Br)6 double halide perovskite solar cellscitations
- 2022Stability of and conduction in single-walled Si2BN nanotubescitations
- 2022Promise and reality of organic electrodes from materials design and charge storage perspectivecitations
- 2022Probing the electronic, optical and transport properties of halide double perovskites Rb2InSb(Cl,Br)6 for solar cells and thermoelectric applicationscitations
- 20222D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applicationscitations
- 2021Cs2InGaX6 (X=Cl, Br, or I)citations
- 2021Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteriescitations
- 2020Carbides-anti-perovskites Mn3(Sn, Zn)Ccitations
- 2020Rational Design of 2D h-BAs Monolayer as Advanced Sulfur Host for High Energy Density Li-S Batteriescitations
- 2020Rational Design of 2D h-BAs Monolayer as Advanced Sulfur Host for High Energy Density Li-S Batteriescitations
Places of action
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article
Carbides-anti-perovskites Mn3(Sn, Zn)C
Abstract
<p>In the present study, the combination of the First-principles density functional theory (DFT) calculations and Monte Carlo (MC) methods are investigated on the structural, magneto-electronic and magneto-caloric properties of the anti-perovskite carbides Mn<sub>3</sub>XC with X = Sn, Zn. Firstly, the electronic band structure and total/partial density of state of both Mn<sub>3</sub>SnC and Mn<sub>3</sub>ZnC are computed and compared to other theoretical and experimental works. Our results reveal that both Mn<sub>3</sub>SnC and Mn<sub>3</sub>ZnC structures exhibit a metallic behavior and the valence (VB) and conduction (CB) bands overlap considerably. Additionally, the magnetic and magneto-caloric properties including heat capacity (C), the entropy change (ΔS), adiabatic temperature (ΔT) and the refrigerant capacity (RC) were studied under the magnetic field ranging between 0 and 5 T for both anti-perovskites. Our findings suggest that both anti-perovskite carbide (Mn3SnC and Mn3ZnC) can act as an effective substrate for magnetic refrigeration.</p>