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LaMnO3 Revisited
Schmitt, Michaël; Zhang, Yajun; Mercy, Alain et al.
2018The XXIVth International Symposium on the Jahn-Teller Effect
 

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Keywords :
First-Principles; Jahn-Teller Effect
Abstract :
[en] We revisit the prototypical Jahn-Teller distorted perovskite LaMnO3. We introduce a new simple notation concatenating local and cooperative aspects of Jahn-Teller distortions in perovskites on the basis of irreducible representations of phonon modes and lattice strains. This description gives a rigorous orthogonal basis to study the interlock between individual lattice distortions, strains, electronic properties and magnetic orderings. By sampling the potential energy surface of the close competing ferromagnetic and A-type antiferromagnetic orders, we show that the main parameter promoting one magnetic potential energy surface with respect to the other is the value of tetragonal strain. On the basis of this knowledge, we reinvestigate the epitaxial strain phase diagram of thin films and clarify the origin of the intriguing ferromagnetic insulating phase found in LaMnO 3 films grown on SrTiO3. Finally we discuss the possibility of designing multiferroic RMnO 3-based superlattices including strong ferromagnetism from appropriate combination of epitaxial strain and cationic ordering.
Research center :
CESAM - Complex and Entangled Systems from Atoms to Materials - ULiège
Disciplines :
Physics
Author, co-author :
Schmitt, Michaël ;  Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Zhang, Yajun ;  Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Mercy, Alain ;  Université de Liège - ULiège > Département de physique > Département de physique
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
Language :
English
Title :
LaMnO3 Revisited
Alternative titles :
[en] LaMnO3 Revisited A Comprehensive First-Principles Study of the Interplay Between Strain, Lattice mode, and Electronic Degrees of Freedom
Publication date :
28 June 2018
Event name :
The XXIVth International Symposium on the Jahn-Teller Effect
Event organizer :
Unversity of Cantabria
Event place :
Santander, Spain
Event date :
from 24-09-2018 to 29-09-2018
By request :
Yes
Audience :
International
Funders :
F.R.S.-FNRS - Fonds de la Recherche Scientifique [BE]
Available on ORBi :
since 02 January 2020

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