122 citations · 273 across the 4 of their papers we have counts for
4 papers
First-principles study of lattice dynamical properties of the room-temperature and ground-state phases of WO
H. Hassani, B. Partoens, E. Bousquet +1
Using first-principles density functional theory, we investigate the dynamical properties of the room-temperature and ground-state phases of WO. As a prelimin…
First-principles study of (Ba,Ca)TiO and Ba(Ti,Zr)O solid solutions
Danila Amoroso, Andres Cano, Philippe Ghosez
(Ba,Ca)TiO and Ba(Ti,Zr)O solid solutions are the building blocks of lead-free piezoelectric materials that attract a renewed interest. We investigate the properties of the…
Large elasto-optic effect and reversible electrochromism in multiferroic BiFeO3
D. Sando, Yurong Yang, E. Bousquet +8
The control of optical fields is usually achieved through the electro-optic or acousto-optic effect in single-crystal ferroelectric or polar compounds such as LiNbO3 or quartz. In…
Coulomb interaction and ferroelectric instability of BaTiO3
Ph. Ghosez, X. Gonze, J. -P. Michenaud
Using first-principles calculations, the phonon frequencies at the point and the dielectric tensor are determined and analysed for the cubic and rhombohedral phases of BaTiO$_{…