[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/Unit :
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