[en] Interest in first-principles calculations within the multiferroic community has been rapidly on the rise over the last decade. Initially considered as a powerful support to explain experimentally observed behaviours, the trend has evolved and, nowadays, density functional theory calculations have become also an essential predicting tool for identifying original rules to achieve multiferroism and design new magneto-electric compounds. This chapter aims at highlighting the key advances in the field of multiferroics, to which first-principles methods have contributed significantly. The essential theoretical developments that made this research possible are also briefly presented.
Disciplines :
Physique
Auteur, co-auteur :
Varignon, Julien ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Bristowe, Nicholas ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
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 :
Novel magneto-electric multiferroics from first-principles calculations
Titre traduit :
[fr] Nouveaux matériaux multiferroïques à partir de calculs de premiers principes
Date de publication/diffusion :
2015
Titre du périodique :
Comptes Rendus Physique
ISSN :
1631-0705
Maison d'édition :
Elsevier Masson, Paris, France
Titre particulier du numéro :
Multiferroic materials and heterostructures
Volume/Tome :
16
Pagination :
153
Peer reviewed :
Peer reviewed vérifié par ORBi
Tags :
Tier-1 supercalculateur CÉCI : Consortium des Équipements de Calcul Intensif
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