6533b82dfe1ef96bd1291f1e
RESEARCH PRODUCT
Surface Relaxation in Ferroelectric Perovskites: An Atomistic Study
Eugene A. KotominSimon DorfmanJoshua FelsteinerDavid FuksEugene Heifetssubject
Surface (mathematics)Materials scienceCondensed matter physicsSHELL modelRelaxation (physics)DielectricPolarization (electrochemistry)FerroelectricityIondescription
ABSTRACTThe effect of the [001] surface relaxation on the polarization of the paraelectric BaTiO3 is simulated in the framework of the shell model. Our atomistic simulations show a large polarization of ions in the first several layers nearby the surface and confirm the possibility of co-existence of Ti-and Ba-terminated [001] BaTiO3 surfaces which have very close surface energies.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1996-01-01 | MRS Proceedings |