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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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Magnuson, Martin
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (20/20 displayed)
- 2024Chemical Reactivity and Alteration of Pyrite Mineral in the Kubi Gold Concession in Ghanacitations
- 2024Electronic structure and thermoelectric properties of epitaxial Sc1−xVxNy thin films grown on MgO(001)citations
- 2023Growth and thermal stability of Sc-doped BaZrO3 thin films deposited on single crystal substratescitations
- 2023Thermoelectric properties and electronic structure of Cr(Mo,V)Nx thin films studied by synchrotron and lab-based x-ray spectroscopycitations
- 2022Review of Transition-Metal Diboride Thin Filmscitations
- 2021Influence of Metal Substitution and Ion Energy on Microstructure Evolution of High-Entropy Nitride (TiZrTaMe)N1-x (Me = Hf, Nb, Mo, or Cr) Filmscitations
- 2020Interface bonding of Zr1−xAlxN nanocomposites investigated by x-ray spectroscopies and first principles calculationscitations
- 2019Reactive magnetron sputtering of tungsten target in krypton/trimethylboron atmospherecitations
- 2016Structure and Bonding in Amorphous Cr1−xCx Nanocomposite Thin Films: X‐ray Absorption Spectra and First-Principles Calculationscitations
- 2015Structure and bonding in amorphous iron carbide thin filmscitations
- 2014Self-doping processes between planes and chains in the metal-to-superconductor transition of YBa2Cu3O6.9citations
- 2014Crystallization characteristics and chemical bonding properties of nickel carbide thin film nanocompositescitations
- 2012Electronic structure and chemical bonding of amorphous chromium carbide thin filmscitations
- 2012Electronic Structure and Chemical Bonding of AmorphousChromium Carbide Thin Filmscitations
- 2012Electronic-structure origin of the anisotropic thermopower of nanolaminated Ti3SiC2 determined by polarized x-ray spectroscopy and Seebeck measurementscitations
- 2009Electronic structure and chemical bonding of nanocrystalline-TiC/amorphous-C nanocompositescitations
- 2009Elastic properties and electrostructural correlations in ternary scandium-based cubic inverse perovskites : A first-principles studycitations
- 2008Electronic structure investigation of the cubic inverse perovskite Sc3AlNcitations
- 2006Large magnetic circular dichroism in resonant inelastic x-ray scattering at the Mn L-edge of Mn-Zn ferritecitations
- 2006Large magnetic circular dichroism in rensonant inelastic x-ray scattering at the Mn L-edge of Mn-Zn ferritecitations
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article
Electronic-structure origin of the anisotropic thermopower of nanolaminated Ti3SiC2 determined by polarized x-ray spectroscopy and Seebeck measurements
Abstract
Nanolaminated materials exhibit characteristic magnetic, mechanical, and thermoelectric properties, with large contemporary scientific and technological interest. Here we report on the anisotropic Seebeck coefficient in nanolaminated Ti3SiC2 single-crystal thin films and trace the origin to anisotropies in element-specific electronic states. In bulk polycrystalline form, Ti3SiC2 has a virtually zero Seebeck coefficient over a wide temperature range. In contrast, we find that the in-plane (basal ab) Seebeck coefficient of Ti3SiC2, measured on single-crystal films, has a substantial and positive value of 4–6 μV/K. Employing a combination of polarized angle-dependent x-ray spectroscopy and density functional theory we directly show electronic structure anisotropy in inherently nanolaminated Ti3SiC2 single-crystal thin films as a model system. The density of Ti 3d and C 2p states at the Fermi level in the basal ab plane is about 40% higher than along the c axis. The Seebeck coefficient is related to electron and hole-like bands close to the Fermi level, but in contrast to ground state density functional theory modeling, the electronic structure is also influenced by phonons that need to be taken into account. Positive contribution to the Seebeck coefficient of the element-specific electronic occupations in the basal plane is compensated by 73% enhanced Si 3d electronic states across the laminate plane that give rise to a negative Seebeck coefficient in that direction. Strong phonon vibration modes with three to four times higher frequency along the c axis than along the basal ab plane also influence the electronic population and themeasured spectra by the asymmetric average displacements of the Si atoms. These results constitute experimental evidence explaining why the average Seebeck coefficient of Ti3SiC2 in polycrystals is negligible over a wide temperature range. This allows the origin of anisotropy in physical properties of nanolaminated materials to be traced to anisotropies in element-specific electronic ...