No full text
Article (Scientific journals)
Coulomb interaction and ferroelectric instability of BaTiO3
Ghosez, Philippe; Gonze, X.; Michenaud, J. P.
1996In Europhysics Letters, 33 (9), p. 713-718
Peer Reviewed verified by ORBi
 

Files


Full Text
No document available.

Send to



Details



Abstract :
[en] Using first-principles calculations, the phonon frequencies at the Gamma-point and the dielectric tensor are determined and analysed for the cubic and rhombohedral phases of BaTiO3. The dipole-dipole interaction is then separated a la Cochran from the remaining short-range forces, in order to investigate their respective influence on lattice dynamics. This analysis highlights the delicate balance of forces leading to an unstable phonon in the cubic phase and demonstrates its extreme sensitivity to effective charge changes. Within our decomposition, the stabilization of the unstable mode in the rhombohedral phase or under isotropic pressure has a different origin.
Disciplines :
Physics
Author, co-author :
Ghosez, Philippe  ;  Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Gonze, X.
Michenaud, J. P.
Language :
English
Title :
Coulomb interaction and ferroelectric instability of BaTiO3
Publication date :
1996
Journal title :
Europhysics Letters
ISSN :
0295-5075
eISSN :
1286-4854
Publisher :
EDP Sciences, Les Ulis, France
Volume :
33
Issue :
9
Pages :
713-718
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 02 December 2009

Statistics


Number of views
44 (1 by ULiège)
Number of downloads
0 (0 by ULiège)

Scopus citations®
 
80
Scopus citations®
without self-citations
57
OpenCitations
 
73

Bibliography


Similar publications



Contact ORBi