Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Ideal barriers to polarization reversal and domain-wall motion in
  strained ferroelectric thin films   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.

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The categories of this paper are: hep-lat
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The categories of this paper are: chem-ph
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The categories of this paper are: hep-ex
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The categories of this paper are: plasm-ph
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The categories of this paper are: q-fin
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The categories of this paper are: bayes-an
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The categories of this paper are: supr-con
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The categories of this paper are: nlin
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The categories of this paper are: nucl-ex
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The categories of this paper are: math-ph
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The categories of this paper are: ao-sci
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The categories of this paper are: q-bio
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The categories of this paper are: nucl-th
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The categories of this paper are: dg-ga
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The categories of this paper are: comp-gas
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The categories of this paper are: acc-phys