Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Formation and switching of defect dipoles in acceptor doped lead
  titanate: A kinetic model based on first-principles calculations   The formation and field-induced switching of defect dipoles in acceptor doped
lead titanate is described by a kinetic model representing an extension of the
well established Arlt-Neumann model [Ferroelectrics {\bf 76}, 303 (1987)].
Energy barriers for defect association and reorientation of oxygen
vacancy-dopant (Cu and Fe) complexes are obtained from first-principles
calculations and serve as input data for the kinetic coefficients in the rate
equation model. The numerical solution of the model describes the time
evolution of the oxygen vacancy distribution at different temperatures and
dopant concentrations in the presence or absence of an alternating external
field. We predict the characteristic time scale for the alignment of all defect
dipoles with the spontanenous polarization of the surrounding matrix. In this
state the defect dipoles act as obstacles for domain wall motion and contribute
to the experimentally observed aging. Under cycling conditions the fully
aligned configuration is perturbed and a dynamic equilibrium is established
with defect dipoles in parallel and anti-parallel orientation relative to the
spontaneous polarization. This process can be related to the deaging behavior
of piezoelectric ceramics.

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The categories of this paper are: hep-ph
36
The categories of this paper are: cmp-lg
2
The categories of this paper are: math
8
The categories of this paper are: hep-ex
5
The categories of this paper are: gr-qc
7
The categories of this paper are: hep-th
9
The categories of this paper are: nlin
17
The categories of this paper are: q-fin
28
The categories of this paper are: alg-geom
11
The categories of this paper are: hep-lat
30
The categories of this paper are: q-alg
31
The categories of this paper are: ao-sci
32
The categories of this paper are: atom-ph
21
The categories of this paper are: adap-org
18
The categories of this paper are: econ
29
The categories of this paper are: funct-an