Article (Scientific journals)
Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO3
Lee, Jun Hee; Delaney, Kris; Bousquet, Eric et al.
2013In Physical Review. B, Condensed Matter and Materials Physics, 88, p. 174426
Peer Reviewed verified by ORBi
 

Files


Full Text
PRB_88_p174426_LaMnO3_JunHee.pdf
Publisher postprint (1.83 MB)
Request a copy

All documents in ORBi are protected by a user license.

Send to



Details



Abstract :
[en] First-principles calculations reveal a large cooperative coupling of Jahn-Teller (JT) distortion to oxygenoctahedron rotations in perovskite LaMnO3. The combination of the two distortions is responsible for stabilizing the strongly orthorhombic A-AFM insulating (I ) eP bnm ground state relative to a metallic ferromagnetic (FM-M) phase. However, epitaxial strain due to coherent matching to a crystalline substrate can change the relative stability of the two states. In particular, coherent matching to a square-lattice substrate favors the less orthorhombic FM-M phase, with the A-AFM phase stabilized at higher values of tensile epitaxial strain due to its larger volume per formula unit, resulting in a coupled magnetic and metal-insulator transition at a critical strain close to 1%. At the phase boundary, a very large magnetoresistance is expected. Tensile epitaxial strain enhances the JT distortion and opens the band gap in the A-AFM-I c-eP bnm phase, offering the opportunity for band-gap engineering. Compressive epitaxial strain induces a transition within the FM-M phase from the c-eP bnm orientation to the ab-eP bnm orientation with a change in the direction of the magnetic easy axis relative to the substrate, yielding strain-controlled magnetization at the phase boundary. Similar behavior is expected in other JT active Pbnm perovskites.
Disciplines :
Physics
Author, co-author :
Lee, Jun Hee
Delaney, Kris
Bousquet, Eric  ;  Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Spaldin, Nicola A.
Rabe, Karin M.
Language :
English
Title :
Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO3
Publication date :
27 November 2013
Journal title :
Physical Review. B, Condensed Matter and Materials Physics
ISSN :
1098-0121
eISSN :
1550-235X
Publisher :
American Physical Society, Woodbury, United States - New York
Volume :
88
Pages :
174426
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 28 November 2013

Statistics


Number of views
67 (7 by ULiège)
Number of downloads
0 (0 by ULiège)

Scopus citations®
 
79
Scopus citations®
without self-citations
74
OpenCitations
 
70

Bibliography


Similar publications



Contact ORBi