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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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Šturm, Sašo
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (14/14 displayed)
- 2024A microscopic view on the electrochemical deposition and dissolution of Au with scanning electrochemical cell microscopy – Part IIcitations
- 2023Heterogeneous nucleation and orientation relationships of icosahedral phase with TiB$_2$ inoculantscitations
- 2023Heterogeneous nucleation and orientation relationships of icosahedral phase with TiB2 inoculantscitations
- 2023Crystal Structure and Ferromagnetism of the CeFe₉Si₄ Intermetallic Compoundcitations
- 2022Two-dimensional square and hexagonal oxide quasicrystal approximants in SrTiO 3 films grown on Pt(111)/Al 2 O 3 (0001)citations
- 2022Crystal structure, microstructure and electronic properties of a newly discovered ternary phase in the Al-Cr-Sc systemcitations
- 2021Investigation of the (1 0 0) and (0 0 1) surfaces of the Al5Fe2 intermetallic compoundcitations
- 2021End-of-life materials used as supplementary cementitious materials in the concrete industrycitations
- 2021Crystal Structure, Microstructure and Electronic Properties of a Newly Discovered Ternary Phase in the Al-Cr-Sc Systemcitations
- 2018A new complex ternary phase in the Al-Cr-Sc push-pull alloycitations
- 2014Microstructure Characterization of Advanced Ceramicscitations
- 2011APPROACHES FOR A RELIABLE COMPOSITIONAL ANALYSIS OF ALKALINE-BASED LEAD-FREE PEROVSKITE CERAMICS USING MICROANALYTICAL METHODScitations
- 2007Tribological Properties of Nanocomposite CrC x /a-C:H Thin Filmscitations
- 2006XRD and TEM study of NiO–LSGM reactivitycitations
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article
Crystal Structure, Microstructure and Electronic Properties of a Newly Discovered Ternary Phase in the Al-Cr-Sc System
Abstract
International audience ; This study focused on the crystal and electronic structures of a newly discovered phase in the Al-Cr-Sc system. The latter two species do not mix in a binary alloy, but can be alloyed with aluminium in the vicinity of the Al2−xCrxSc composition, where 0.3 < x < 0.5. After preparation of the pure constituents via arc melting, high-temperature annealing at 990 ◦C for 240 h was required to achieve full mixing of the elements. A detailed characterisation of the crystal structure, alloy microstructure and stability was obtained using single-crystal X-ray diffraction (SCXRD) and powder X-ray diffraction (PXRD), in addition to transmission electron microscopy (TEM), especially in high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) mode, scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDXS) and differential scanning calorimetry (DSC) measurements. The crystal structure was refined to a hexagonal unit cell of the MgZn2 type, space group no. 194, P63/mmc, which belongs to the Laves phases family. Special attention was paid to the occupancy of the crystallographic sites that were filled by both Cr and Al atoms. First-principles calculations based on the density functional theory (DFT) were performed toinvestigate the electronic structure of this ternary phase. The total density of states (DOS) exhibited a pronounced sp character, where a shallow pseudo-gap was visible 0.5 eV below the Fermi energy that brought a small but definite contribution to the thermodynamic stability of the compound.