Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Anion order and spontaneous polarization in LaTiO\textsubscript{2}N
  oxynitride thin films   The perovskite oxynitride LaTiO\textsubscript{2}N is a promising material for
photocatalytic water splitting under visible light. One of the obstacles
towards higher efficiencies of this and similar materials stems from
charge-carrier recombination, which could be suppressed by the built-in
electric field in polar materials. In this study, we investigate the
spontaneous polarization in epitaxially strained LaTiO\textsubscript{2}N thin
films via density functional theory calculations. The effect of epitaxial
strain on the anion order, resulting out-of-plane polarization, energy barriers
for polarization reversal and the corresponding coercive fields are studied. We
find that for compressive strains larger than 4\% the thermodynamically stable
anion order is polar along the out-of-plane direction and has a coercive field
comparable to other switchable ferroelectrics. Our results show that strained
LaTiO\textsubscript{2}N could indeed suppress carrier recombination and lead to
enhanced photocatalytic activities.

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The categories of this paper are: plasm-ph
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The categories of this paper are: acc-phys
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The categories of this paper are: cs
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The categories of this paper are: dg-ga
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The categories of this paper are: mtrl-th
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The categories of this paper are: astro-ph
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The categories of this paper are: supr-con
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The categories of this paper are: adap-org
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The categories of this paper are: econ
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The categories of this paper are: chao-dyn
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The categories of this paper are: comp-gas
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The categories of this paper are: q-bio
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The categories of this paper are: bayes-an
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The categories of this paper are: quant-ph
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The categories of this paper are: patt-sol
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The categories of this paper are: nlin