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EnglishWe investigate the electronic structure and the ferroelectric properties of the recently discovered multiferroic ScFeO3 by means of ab initio calculations. The 3d manifold of Fe in the half-filled configuration naturally favors an antiferromagnetic ordering, with a theoretical estimate of the antiferromagnetic Ne ́el temperature in good agreement with the experimental values. We find that the inversion symmetry breaking is driven by the off-centering of Sc atoms, which results in a large ferroelectric polarization of ∼105 μC/cm2. Surprisingly the ferroelectric polarization is sensitive to the local magnetization of the Fe atoms resulting in a large negative magnetoelectric interaction. This behavior is unexpected in type-I multiferroic materials because the magnetic and ferroelectric orders are of different origins.
| Titolo: | Magnetoelectric coupling in the type-I multiferroic ScFeO3 |
| Autori: | Giovannetti, G.; Puggioni, D.; Barone, P.; Picozzi, S.; Rondinelli, J. M.; Capone, M. |
| Rivista: | |
| Data di pubblicazione: | 2016 |
| Volume: | 94 |
| Fascicolo: | 19 |
| Pagina iniziale: | 1 |
| Pagina finale: | 5 |
| Numero di Articolo: | 195116 |
| Digital Object Identifier (DOI): | http://dx.doi.org/10.1103/PhysRevB.94.195116 |
| URL: | https://journals.aps.org/prb/pdf/10.1103/PhysRevB.94.195116 https://arxiv.org/abs/1611.01762 |
| Appare nelle tipologie: | 1.1 Journal article |
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|---|---|---|---|---|
| PhysRevB.94.195116.pdf | Articolo Completo | Versione Editoriale (PDF) | Non specificato | Administrator Richiedi una copia |
http://hdl.handle.net/20.500.11767/50418
