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Surface Relaxation in Ferroelectric Perovskites: An Atomistic Study
Published online by Cambridge University Press: 10 February 2011
Abstract
The 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.
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- Copyright © Materials Research Society 1997
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