[en] We report an experimental study of the phonon dispersion in BiFeO3 single crystals at ambient
conditions by inelastic x-ray scattering (IXS). The phonon dispersions were recorded along
several symmetry directions up to 35 meV. Our results compare favorably with first-principles
calculations performed using density functional theory (DFT) within the local-density
approximation (LDA). We resolve a discrepancy concerning the symmetry of the optical
phonon branches observed by Raman spectroscopy, determine the energy of the lowest Raman
and infrared silent mode, and derive a subset of the elastic moduli of BiFeO3.
Disciplines :
Physics
Author, co-author :
Borissenko, Elena
Goffinet, Marco ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Bosak, Alexei
Rovillain, Pauline
Cazayous, Maximilien
Colson, Dorothée
Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Krisch, Michael
Language :
English
Title :
Lattice dynamics of multiferroic BiFeO3 studied by inelastic x-ray scattering
Publication date :
2013
Journal title :
Journal of Physics: Condensed Matter
ISSN :
0953-8984
eISSN :
1361-648X
Publisher :
Institute of Physics, Bristol, United Kingdom
Volume :
25
Pages :
102201
Peer reviewed :
Peer Reviewed verified by ORBi
Tags :
Tier-1 supercomputer CÉCI : Consortium des Équipements de Calcul Intensif
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