Physics – Condensed Matter – Materials Science
Scientific paper
2008-12-04
Phys. Rev. B 79, 144124 (2009)
Physics
Condensed Matter
Materials Science
9 pages, 13 figures
Scientific paper
10.1103/PhysRevB.79.144124
The ideal intrinsic barriers to domain switching in c-phase PbTiO_3 (PTO), PbZrO_3 (PZO), and PbZr_{1-x}Ti_xO_3 (PZT) are investigated via first-principles computational methods. The effects of epitaxial strain on the atomic structure, ferroelectric response, barrier to coherent domain reversal, domain-wall energy, and barrier to domain-wall translation are studied. It is found that PTO has a larger polarization, but smaller energy barrier to domain reversal, than PZO. Consequentially the idealized coercive field is over two times smaller in PTO than PZO. The Ti--O bond length is more sensitive to strain than the other bonds in the crystals. This results in the polarization and domain-wall energy in PTO having greater sensitivity to strain than in PZO. Two ordered phases of PZT are considered, the rock-salt structure and a (100) PTO/PZO superlattice. In these simple structures we find that the ferroelectric properties do not obey Vergard's law, but instead can be approximated as an average over individual 5-atom unit cells.
Beckman S. P.
Rabe Karin M.
Vanderbilt David
Wang Xinjie
No associations
LandOfFree
Ideal barriers to polarization reversal and domain-wall motion in strained ferroelectric thin films does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Ideal barriers to polarization reversal and domain-wall motion in strained ferroelectric thin films, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Ideal barriers to polarization reversal and domain-wall motion in strained ferroelectric thin films will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-136066