Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Analysis of soft optical modes in hexagonal BaTiO3: transference of
  perovskite local distortions   We have performed detailed first-principles calculations to determine the
eigenvectors of the zone-center modes of hexagonal BaTiO3 and shown that the
experimentally relevant low-energy modes (including the non-polar instability)
can be represented as suitable combinations of basic local polar distortions
associated with the instability of the cubic perovskite phase. The hexagonal
structure provides a testing ground for the analysis of the influence of the
stacking of TiO6 octahedra: the occurrence of relatively high-energy chains of
dipoles highlights the importance of local effects related to the coherent
hybridization enhancement between Ti and O ions. Our results provide simple
heuristic rules that could be useful for the analysis of related compounds.

20
The categories of this paper are: acc-phys
22
The categories of this paper are: chao-dyn
34
The categories of this paper are: chem-ph
24
The categories of this paper are: dg-ga
9
The categories of this paper are: nlin
35
The categories of this paper are: mtrl-th
28
The categories of this paper are: alg-geom
36
The categories of this paper are: cmp-lg
18
The categories of this paper are: econ
14
The categories of this paper are: math-ph
6
The categories of this paper are: astro-ph
27
The categories of this paper are: comp-gas
1
The categories of this paper are: cs
26
The categories of this paper are: bayes-an
12
The categories of this paper are: nucl-th
15
The categories of this paper are: nucl-ex