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Rocquefelte, X., Schwarz, K., Blaha, P., Kumar, S. & van den Brink, J. (2013) Room-temperature spin-spiral multiferroicity in high-pressure cupric oxide. Nat. Commun. 4 2511. 
Added by: Laurent Cournède (2016-03-10 21:23:30)
Type de référence: Article
DOI: 10.1038/ncomms3511
Numéro d'identification (ISBN etc.): 2041-1723
Clé BibTeX: Rocquefelte2013
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Catégories: MIOPS
Mots-clés: cuo, diffraction, exchange, high-t-c, magnetic excitations
Créateurs: Blaha, van den Brink, Kumar, Rocquefelte, Schwarz
Collection: Nat. Commun.
Consultations : 7/350
Indice de consultation : 2%
Indice de popularité : 0.5%
Résumé     
Multiferroic materials, in which ferroelectric and magnetic ordering coexist, are of fundamental interest for the development of multi-state memory devices that allow for electrical writing and non-destructive magnetic readout operation. The great challenge is to create multiferroic materials that operate at room temperature and have a large ferroelectric polarization P. Cupric oxide, CuO, is promising because it exhibits a significant polarization, that is, P similar to 0.1 mu C cm(-2), for a spin-spiral multiferroic. Unfortunately, CuO is only ferroelectric in a temperature range of 20 K, from 210 to 230 K. Here, by using a combination of density functional theory and Monte Carlo calculations, we establish that pressure-driven phase competition induces a giant stabilization of the multiferroic phase of CuO, which at 20-40 GPa becomes stable in a domain larger than 300 K, from 0 to T{>}300 K. Thus, under high pressure, CuO is predicted to be a room-temperature multiferroic with large polarization.
Added by: Laurent Cournède  
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