Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Low-temperature anharmonicity of barium titanate: a path-integral
  molecular dynamics study   We investigate the influence of quantum effects on the dielectric and
piezoelectric properties of barium titanate in its (low-temperature)
rhombohedral phase, and show the strongly anharmonic character of this system
even at low temperature. For this purpose, we perform path-integral
molecular-dynamics simulations under fixed pressure and fixed temperature,
using an efficient Langevin thermostat-barostat, and an effective hamiltonian
derived from first-principles calculations. The quantum fluctuations are shown
to significantly enhance the static dielectric susceptibility (~ by a factor 2)
and the piezoelectric constants, reflecting the strong anharmonicity of this
ferroelectric system even at very low temperature. The slow
temperature-evolution of the dielectric properties observed below ~ 100 K is
attributed (i) to zero-point energy contributions and (ii) to harmonic behavior
if quantum effects are turned off.

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The categories of this paper are: hep-lat
32
The categories of this paper are: atom-ph
0
The categories of this paper are: hep-ph
5
The categories of this paper are: gr-qc
1
The categories of this paper are: cs
24
The categories of this paper are: dg-ga
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The categories of this paper are: alg-geom
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The categories of this paper are: nucl-th
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The categories of this paper are: q-fin
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The categories of this paper are: solv-int
37
The categories of this paper are: supr-con
34
The categories of this paper are: chem-ph
30
The categories of this paper are: q-alg
18
The categories of this paper are: econ
21
The categories of this paper are: adap-org
35
The categories of this paper are: mtrl-th