118 citations · 430 across the 14 of their papers we have counts for
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Optical and electronic properties in ferroelectric barium titanate-based compounds
Ingrid C. Infante, Halyna Volkova, Pascale Gemeiner +9
The bandgap energy values for the ferroelectric BaTiO3-based solid solutions with isovalent substitution Ba1-x SrxTiO3, BaZrxTi1-xO3 and BaSnxTi1-xO3 were determined using diffuse…
Polarization sensitive surface band structure of doped BaTiO3(001)
J. E. Rault, J. Dionot, C. Mathieu +4
We present a spatial and wave-vector resolved study of the electronic structure of micron sized ferroelectric domains at the surface of a BaTiO3(001) single crystal. The n-type dop…
Polarization dependent chemistry of ferroelectric BaTiO3 (001) domains
Yanyu Mi, Gregory Geneste, Julien Rault +3
Recent works suggest that the surface chemistry, in particular, the presence of oxygen vacancies can affect the polarization in a ferroelectric material. This should, in turn, infl…
Simulating the radiofrequency dielectric response of relaxor ferroelectrics: Combination of Coarse-Grained Hamiltonians and Kinetic Monte Carlo
Gregory Geneste, L. Bellaiche, Jean-Michel Kiat
The radiofrequency dielectric response of the lead-free Ba(ZrTi)O relaxor ferroelectric is simulated using a coarse-grained Hamiltonian. This concept, taken fro…
Quantum effects in proton-conducting oxides: an exhaustive study in barium stannate
Grégory Geneste, Alistar Ottochian, Jessica Hermet +1
Density-functional theory calculations are performed to investigate hydrogen transport in the proton conductor BaSnO. Structural optimizations in the stable and saddle point co…
Hydrogen diffusion in the proton conductor Gd-doped barium cerate
Jessica Hermet, Marc Torrent, François Bottin +2
The energy landscape and diffusion barriers of protonic defects in Gd-doped BaCeO3, a compound candidate as electrolyte for protonic ceramic fuel cells, have been investigated by d…