Paper published in a journal (Scientific congresses and symposiums)
Electron localization in lithium niobate
Veithen, M.; Ghosez, Philippe
2002In AIP Conference Proceedings, 626, p. 208
Peer Reviewed verified by ORBi
 

Files


Full Text
2002-AIP-CP626a.pdf
Publisher postprint (94.97 kB)
Request a copy

All documents in ORBi are protected by a user license.

Send to



Details



Abstract :
[en] Using a plane-wave pseudopotential approach to density functional theory, we investigate the degree of electron localization in lithium niobate. We pay a particular attention to its variation during the phase transition and to the relationship with the electronic structure and the Born effective charges in this material. A band-by-band decomposition allows us to focus on the different bands composing the energy spectrum of this compound. At variance with previous calculations based on finite differences, the localization tensor has been obtained using linear-response techniques.
Disciplines :
Physics
Author, co-author :
Veithen, M.
Ghosez, Philippe  ;  Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Language :
English
Title :
Electron localization in lithium niobate
Publication date :
2002
Event name :
Fundamental Physics of ferroelectrics 2002
Event date :
from 03-02-2002 to 06-02-2002
Audience :
International
Journal title :
AIP Conference Proceedings
ISSN :
0094-243X
eISSN :
1551-7616
Publisher :
American Institute of Physics, New York, United States - New York
Volume :
626
Pages :
208
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 02 December 2009

Statistics


Number of views
38 (2 by ULiège)
Number of downloads
0 (0 by ULiège)

Bibliography


Similar publications



Contact ORBi