[en] In magnetic materials, the Pauli exclusion principle typically drives anti-alignment between electron spins on neighbouring species resulting in antiferromagnetic behaviour. Ferromagnetism exhibiting spontaneous spin alignment is a fairly rare behaviour, but once materialized is often associated with itinerant electrons in metals. Here we predict and rationalize robust ferromagnetism in an insulating oxide perovskite structure based on the popular titanate series. In half-doped layered titanates, the combination of Jahn–Teller and oxygen breathing motions opens a band gap and creates an unusual charge and orbital ordering of the Ti d electrons. It is argued that this intriguingly intricate electronic network favours the elusive inter-site ferromagnetic (FM) ordering, on the basis of intra-site Hund's rules. Finally, we find that the layered oxides are also ferroelectric with a spontaneous polarization approaching that of BaTiO3. The concepts are general and design principles of the technologically desirable FM ferroelectric multiferroics are presented.
Centre/Unité de recherche :
Physique Théorique des Matériaux
Disciplines :
Physique
Auteur, co-auteur :
Bristowe, Nicholas ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Varignon, Julien ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Fontaine, Denis
Bousquet, Eric ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Langue du document :
Anglais
Titre :
Ferromagnetism induced by entangled charge and orbital orderings in ferroelectric titanate perovskites
Date de publication/diffusion :
2015
Titre du périodique :
Nature Communications
eISSN :
2041-1723
Maison d'édition :
Nature Pub.lishing Group, London, Royaume-Uni
Volume/Tome :
6
Pagination :
6677
Peer reviewed :
Peer reviewed vérifié par ORBi
Tags :
Tier-1 supercalculateur CÉCI : Consortium des Équipements de Calcul Intensif
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