[en] In a recent paper, Tutuncu and Srivastava [J. Appl. Phys. 103, 083712 (2008)] report the electronic structure and the assignment of the zone-center phonon modes of the R3c phase of BiFeO3 using the density functional theory. In the present comment, we point out some physical inaccuracies in their mode assignment. We review their interpretation and analyze which conclusions are actually justified.
Disciplines :
Physics
Author, co-author :
Hermet, Patrick ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Goffinet, Marco ; 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 :
Comment on "Electronic structure and zone-center phonon modes in multiferroic bulk BiFeO3" [J. Appl. Phys. 103, 083712 (2008)]
Publication date :
2009
Journal title :
Journal of Applied Physics
ISSN :
0021-8979
eISSN :
1089-7550
Publisher :
American Institute of Physics, Melville, United States - New York
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