Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Polarization Enhancement in Perovskite Superlattices by Oxygen
  Octahedral Tilts   Interface engineering in perovskite oxide superlattices has developed into a
flourishing field, enabling not only further tuning of the exceptional
properties, but also giving access to emergent physical phenomena. Here, we
reveal a new mechanism for enhancing the electric polarization by the
interface-induced oxygen octahedral tilts in BaTiO3/CaTiO3 superlattices. By
combining a novel genetic algorithm with density functional theory (DFT), we
predict that the true ground states in 1:1 and 2:2 BaTiO3/CaTiO3 superlattices
grown on SrTiO3 adopt Pc symmetry with a large proper electric polarization
(32.8{\mu}C/cm2 for 1:1 and 35.8 {\mu}C/cm2 for 2:2 superlattices), which is
even larger than that of bulk BaTiO3. The tilt of oxygen octahedron is found to
play a key role for the enhancement of out-of-plane polarization in 1:1
superlattices because it reduces greatly the rotation of oxygen octahedron
(out-of-phase) which significantly suppresses the out-of-plane polarization.

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The categories of this paper are: plasm-ph
2
The categories of this paper are: math
31
The categories of this paper are: ao-sci
3
The categories of this paper are: physics
8
The categories of this paper are: hep-ex
12
The categories of this paper are: nucl-th
14
The categories of this paper are: math-ph
26
The categories of this paper are: bayes-an
1
The categories of this paper are: cs
25
The categories of this paper are: patt-sol
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The categories of this paper are: q-alg
15
The categories of this paper are: nucl-ex
10
The categories of this paper are: q-bio
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The categories of this paper are: mtrl-th
0
The categories of this paper are: hep-ph
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The categories of this paper are: supr-con