| 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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Verstraete, Matthieu
University of Liège
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (13/13 displayed)
- 2023Ab initio calculation of thermoelectric properties in 3d ferromagnets based on spin-dependent electron-phonon couplingcitations
- 2023Vibrational properties of Molybdenum Sulphides at finite T combining ab initio methods and Machine Learning
- 2023Investigation and field effect tuning of thermoelectric properties of SnSe2 flakescitations
- 2022Erratumcitations
- 2022Strong effect of crystal structure on the proximity effect between a superconductor and monolayer of cobaltcitations
- 2021Assessing Nickel Titanium Binary Systems Using Structural Search Methods and Ab Initio Calculationscitations
- 2021Fröhlich polaron effective mass and localization length in cubic materialscitations
- 2021(Invited) Ab Initio Exciton and Phonon Dynamics in Transition Metal Dichalcogenides
- 2020Thermoelectric properties of elemental metals from first-principles electron-phonon couplingcitations
- 2019Spin States Protected from Intrinsic Electron–Phonon Coupling Reaching 100 ns Lifetime at Room Temperature in MoSe2citations
- 2014First-principles study of the lattice dynamical properties of strontium ruthenatecitations
- 2013LaAu2 and CeAu2 surface intermetallic compounds grown by high-temperature deposition on Au(111)citations
- 2004Structural and electronic properties of Ag-Pd superlatticescitations
Places of action
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article
Ab initio calculation of thermoelectric properties in 3d ferromagnets based on spin-dependent electron-phonon coupling
Abstract
<jats:title>Abstract</jats:title><jats:p>Crossed magneto-thermo-electric coefficients are central to novel sensors and spin(calori)tronic devices. Within the framework of Boltzmann’s transport theory, we calculate the resistivity and Seebeck coefficients of the most common 3d ferromagnetic metals: Fe, Co, and Ni. We use a fully first-principles variational approach, explicitly taking electron-phonon scattering into account. The electronic band structures, phonon dispersion curves, phonon linewidths, and transport spectral functions are reported, comparing with experimental data. Successive levels of approximation are discussed: constant relaxation time approximation, scattering for a non-magnetic configuration, then spin polarized calculations with and without spin orbit coupling (enabling spin-flips). Spin polarization and explicit electron-phonon coupling are found to be necessary to reach a correct qualitative picture: the effect of spin flipping is substantial&#xD;for resistivity and very delicate for the Seebeck coefficient. The spin-dependent Seebeck effect is also predicted.</jats:p>