| 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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Lazarov, Vlado K.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (17/17 displayed)
- 2024Origin of reduced magnetization and domain formation in small magnetite nanoparticlescitations
- 2024Van der Waals epitaxy between the highly lattice mismatched Cu-doped FeSe and Bi2Te3citations
- 2024Characterization of composition dependence of properties of a MgNiO-based MSM structure
- 2022Giant converse magnetoelectric effect in a multiferroic heterostructure with polycrystalline Co2FeSicitations
- 2022Giant converse magnetoelectric effect in a multiferroic heterostructure with polycrystalline Co2FeSicitations
- 2019Effective modelling of the Seebeck coefficient of Fe2VAlcitations
- 2019Room-temperature local magnetoresistance effect in n-Ge devices with low-resistive Schottky-tunnel contactscitations
- 2018Correlation between spin transport signal and Heusler/semiconductor interface quality in lateral spin-valve devicescitations
- 2017Origin of reduced magnetization and domain formation in small magnetite nanoparticlescitations
- 2017Van der Waals epitaxy between the highly lattice mismatched Cu-doped FeSe and Bi2Te3citations
- 2016Realisation of magnetically and atomically abrupt half-metal/semiconductor interface: Co2FeSi0.5Al0.5/Ge(111)citations
- 2016Polar Spinel-Perovskite Interfacescitations
- 2016Realisation of magnetically and atomically abrupt half-metal/semiconductor interface: Co2FeSi0.5Al0.5/Ge(111):Co2FeSi0.5Al0.5/Ge(111)citations
- 2016Atomic and electronic structure of twin growth defects in magnetitecitations
- 2016The role of chemical structure on the magnetic and electronic properties of Co2FeAl0.5Si0.5/Si(111) interfacecitations
- 2016Experimental and density functional study of Mn doped Bi2Te3 topological insulatorcitations
- 2014Atomic-scale structure and properties of highly stable antiphase boundary defects in Fe3O4citations
Places of action
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article
Effective modelling of the Seebeck coefficient of Fe2VAl
Abstract
<p>Previous first-principles calculations have failed to reproduce many of the key thermoelectric features of Fe2VAl, e.g. the maximum values of the Seebeck coefficientSand its asymmetry with respect to the chemical potential. Also, previous theoretical predictions suggested that the pseudo band gap of Fe2VAl switches from indirect to direct upon doping. In this work, we report first-principles calculations that correctly reproduce the experimentally measured thermoelectric properties of Fe2VAl. This is achieved by adding a larger HubbardUterm to V atoms than to Fe atoms and including a scissors operator afterwards. As a result, bulk Fe2VAl is modelled as a gapless semiconductor with maximumSvalues of 76 and -158 μV/K forp- andn-type, respectively, which agree well with the experimental measurements.</p>