Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Finite-Temperature Atomic Structure of 180^o Ferroelectric Domain Walls
  in PbTiO3   In this letter we obtain the finite-temperature structure of 180^o domain
walls in PbTiO3 using a quasi-harmonic lattice dynamics approach. We obtain the
temperature dependence of the atomic structure of domain walls from 0K up to
room temperature. We also show that both Pb-centered and Ti-centered 180^o
domain walls are thicker at room temperature; domain wall thickness at T=300K
is about three times larger than that of T=0K. Our calculations show that
Ti-centered domain walls have a lower free energy than Pb-centered domain walls
and hence are more likely to be seen at finite temperatures.

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The categories of this paper are: patt-sol
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The categories of this paper are: econ
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The categories of this paper are: hep-lat
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The categories of this paper are: comp-gas
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The categories of this paper are: physics
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The categories of this paper are: hep-ex
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The categories of this paper are: stat
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The categories of this paper are: gr-qc
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The categories of this paper are: nucl-th
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The categories of this paper are: eess
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The categories of this paper are: funct-an
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The categories of this paper are: nucl-ex
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The categories of this paper are: atom-ph
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The categories of this paper are: hep-th
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The categories of this paper are: dg-ga
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The categories of this paper are: adap-org