Electric Field Control of Jahn-Teller Distortions in Bulk Perovskites

[en] The Jahn-Teller distortion, by its very nature, is often at the heart of the various electronic properties displayed by perovskites and related materials. Despite the Jahn-Teller mode being nonpolar, we devise and demonstrate, in the present Letter, an electric field control of Jahn-Teller distortions in bulk perovskites. The electric field control is enabled through an anharmonic lattice mode coupling between the Jahn-Teller distortion and a polar mode. We confirm this coupling and quantify it through first-principles calculations. The coupling will always exist within the Pb21m space group, which is found to be the favored ground state for various perovskites under sufficient tensile epitaxial strain. Intriguingly, the calculations reveal that this mechanism is not only restricted to Jahn-Teller active systems, promising a general route to tune or induce novel electronic functionality in perovskites as a whole.

Disciplines :

Physics

Author, co-author :

Varignon, Julien ; Université de Liège > Département de physique > Physique théorique des matériaux

Bristowe, Nicholas ; Université de Liège > Département de physique > Physique théorique des matériaux

Ghosez, Philippe ; Université de Liège > Département de physique > Physique théorique des matériaux

Language :

English

Title :

Electric Field Control of Jahn-Teller Distortions in Bulk Perovskites

Publication date :

2016

Journal title :

Physical Review Letters

ISSN :

0031-9007

eISSN :

1079-7114

Publisher :

American Physical Society, Ridge, United States - New York

Volume :

116

Pages :

057602

Peer reviewed :

Peer Reviewed verified by ORBi

Tags :

Tier-1 supercomputer
CÉCI : Consortium des Équipements de Calcul Intensif

Funders :

CÉCI - Consortium des Équipements de Calcul Intensif [BE]
Tier-1

Available on ORBi :

since 23 June 2016

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