[en] Combining density-functional calculations and x-ray diffraction experiments, we show that BiFeO3 epitaxially grown under compressive strain on cubic substrates evolves from the monoclinic Cc phase (resulting from the strain-induced deformation of the ground-state rhombohedral R3c phase) to the monoclinic Cm phase with increasing misfit, the transition being at about -4.5\%/-5.5\%. Moreover, the polarization of the Cc phase only rotates (instead of increasing) for misfit strain ranging from 0\% to -4\%, due to a strong coupling between polar displacements and oxygen octahedra tilts. This strong interaction is of interest for multiferroics where usually both structural degrees of freedom coexist.
Disciplines :
Physics
Author, co-author :
Dupé, Bertrand ; Université de Liège - ULiège > Département de physique > Physique des matériaux et nanostructures
Infante, Ingrid C.
Geneste, Grégorie
Janolin, Pierre-Eymeric
Bibes, Manuel
Barthélémy, Agnès
Lisenkov, Sergey
Bellaiche, Laurent
Ravy, Sylvain
Dkhil, Brahim
Language :
English
Title :
Competing phases in BiFeO\$\_3\$ thin films under compressive epitaxial strain
Publication date :
2010
Journal title :
Physical Review. B, Condensed Matter and Materials Physics
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