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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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Arras, Rémi
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Topics
Publications (14/14 displayed)
- 2022Multiple spintronic functionalities into single zinc-ferrous ferrite thin filmscitations
- 2021Nanostructured ZnFe2O4: An Exotic Energy Materialcitations
- 2018Noble Metal Nanocluster Formation in Epitaxial Perovskite Thin Filmscitations
- 2017Evolution of magnetic properties and damping coefficient of Co 2 MnSi Heusler alloy with Mn/Si and Co/Mn atomic disordercitations
- 2017Charge transfer and magnetization of a MoS 2 monolayer at the Co(0001)/MoS 2 interface
- 2017Strain induced atomic structure at the Ir-doped LaAlO 3 /SrTiO 3 interfacecitations
- 2017Electronic structure of the Co(0001)/MoS2 interface, and its possible use for electrical spin injection in a single MoS2 layercitations
- 2016First-principles electronic structure calculations for the whole spinel oxide solid solution range MnxCo3−xO4(0 ≤ x ≤ 3) and their comparison with experimental datacitations
- 2016First-principles electronic structure calculations for the whole spinel oxide solid solution range MnxCo3−xO4(0 ≤ x ≤ 3) and their comparison with experimental datacitations
- 2016First-principles electronic structure calculations for the whole spinel oxide solid solution range MnxCo3−xO4(0 ≤ x ≤ 3) and their comparison with experimental datacitations
- 2015Observation of the strain induced magnetic phase segregation in manganite thin filmscitations
- 2015Observation of the strain induced magnetic phase segregation in manganite thin filmscitations
- 2015Energy-loss magnetic chiral dichroism study of epitaxial MnAs film on GaAs(001)citations
- 2010Electronic structure near an antiphase boundary in magnetitecitations
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article
Electronic structure near an antiphase boundary in magnetite
Abstract
We present a first-principles calculation of the electronic structure near an antiphase boundary APB in magnetite, with the shift vector along the 110 direction and a 110 boundary plane. We have first used the local spin-density approximation to calculate the ground-state energy of a supercell with two magnetite grains separated by an APB, and found that this energy is lower when magnetite grains are coupled ferromagnetically. The LDA+ U approximation has later been used for an accurate description of the density of states near the boundary. Results show that localized electron states can exist in the vicinity of the structural defect. We give a clear description of the dispersion of these APB states.