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Title: Unusual soft mode dynamics in ferroelectric PbTiO3, nanowire under different mechanical boundary conditions

Journal Article · · Journal of Applied Physics
DOI:https://doi.org/10.1063/1.5003630· OSTI ID:1409177
 [1];  [1]
  1. Univ. of South Florida, Tampa, FL (United States)
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Here, first-principles-based atomistic simulations are used to investigate equilibrium phases and soft mode dynamics in ultrathin ferroelectric PbTiO3 nanowire with poor surface charge compensation subjected to a wide range of mechanical boundary conditions. The presence of the depolarizing field along the nanowire's transverse directions leads to the appearance of a unique high-frequency hard phonon mode that can be used to characterize electrical boundary conditions. This mode is insensitive to the mechanical load. Hydrostatic pressure was found to significantly influence the Curie point and ferroelectric soft modes in the nanowire. Uniaxial stress applied either along axial or transverse nanowire's direction is capable of inducing polydomain flux-closure phases that have a unique ``dynamical" fingerprint. In such phases the modes that originate from the soft modes of bulk PbTiO3 become hard, which could open a way to potential identification of such nanodomain phases. In all cases, uniaxial stress significantly increases Curie temperature.

Research Organization:
Univ. of South Florida, Tampa, FL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0005245
OSTI ID:
1409177
Alternate ID(s):
OSTI ID: 1411984
Journal Information:
Journal of Applied Physics, Vol. 122, Issue 21; ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

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Figures / Tables (5)

FIG. 1.(p. 5)figure FIG. 1.
FIG. 2.(p. 7)figure FIG. 2.
FIG. 3.(p. 10)figure FIG. 3.
FIG. 4.(p. 12)figure FIG. 4.
FIG. 5.(p. 14)figure FIG. 5.

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