Comparative study of the properties of BaTiO3 and PbTiO3 using DFT (LDA, GGA), HF and hybrid (B3LYP) functionals

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Unpublished conference/Abstract (Scientific congresses and symposiums)

Bilc, Daniel; Hermet, P.; Iniguez, J. et al.

2007 • 2007 March meeting of the American Physical Society

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https://hdl.handle.net/2268/236621

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Keywords :

comparative study; BaTiO3, PbTiO3; DFT use

Disciplines :

Physics

Author, co-author :

Bilc, Daniel ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux

Hermet, P.

Iniguez, J.

Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux

Language :

English

Title :

Comparative study of the properties of BaTiO3 and PbTiO3 using DFT (LDA, GGA), HF and hybrid (B3LYP) functionals

Publication date :

09 March 2007

Event name :

2007 March meeting of the American Physical Society

Event organizer :

the American Physical Society

Event place :

Denver, United States

Event date :

du 05 au 09 mars 2007

Audience :

International

Available on ORBi :

since 11 June 2019

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