Topology of the polarization field in PbTiO3 nanoparticles of different shapes by atomic-level simulations

An atomistic model approach parameterized from first-principles calculations is used to investigate size and shape effects on the polarization field in isolated stress-free PbTiO3 nanoparticles. The study was carried out by molecular dynamics simulations in free-standing nanodots of cylindrical, sph...

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Veröffentlicht in:	Journal of applied physics 2020-04, Vol.127 (14)
Hauptverfasser:	Di Rino, F., Sepliarsky, M., Stachiotti, M. G.
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied physics Aspect ratio Computer simulation Configurations Cylinders Domain walls Ferroelectric materials Ferroelectricity First principles Lead titanates Molecular dynamics Nanoparticles Polarization Shape effects Spheroids Topology Transformations (mathematics) Vortices
Online-Zugang:	Volltext
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