Comment on "Electronic structure and zone-center phonon modes in multiferroic bulk BiFeO3" [J. Appl. Phys. 103, 083712 (2008)]

bismuth compounds; density functional theory; dielectric polarisation; ferroelectric materials; ferromagnetic materials; multiferroics; phonon-plasmon interactions; phonons; pseudopotential methods

Abstract :

[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

Volume :

105

Pages :

036108

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 02 December 2009

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