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Polarization Switching in 2D Nanoscale Ferroelectrics: Computer Simulation and Experimental Data Analysis.

Ekaterina Paramonova1, Vladimir Bystrov1, Xiangjian Meng2

  • 1Institute of Mathematical Problems of Biology, Keldysh Institute of Applied Mathematics, RAS, Moscow 142290, Russia.

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Summary

Homogeneous switching in 2D ferroelectrics is possible, but the Ginzburg-Landau-Devonshire (LGD) theory is only valid in regions several lattice constants thick. This study analyzes ferroelectric films to define these limits.

Keywords:
LGD theorycomputer simulationfittinghomogeneous switchingkineticsnanoscale ferroelectricspolarization

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Ferroelectric materials exhibit spontaneous electric polarization.
  • Understanding polarization switching is crucial for device applications.
  • Nanoscale ferroelectrics present unique switching behaviors compared to bulk materials.

Purpose of the Study:

  • To investigate the polarization switching kinetics in nanosized ferroelectric crystals and films.
  • To determine the conditions for homogeneous switching versus domain switching.
  • To establish the validity limits of the Ginzburg-Landau-Devonshire (LGD) theory at the nanoscale.

Main Methods:

  • Review of experimental results for 2D ferroelectric polymer films, barium titanate nanofilms, and hafnium oxide-based films.
  • First-principle calculations for ultrathin 2D ferroelectric polymer films.
  • Fitting the transition region between homogeneous and domain switching using sigmoidal Boltzmann functions.

Main Results:

  • Homogeneous switching, as described by LGD theory, is feasible only in two-dimensional (2D) ferroelectrics.
  • The LGD theory is applicable in regions of homogeneous switching several lattice constants or monolayers thick.
  • Boltzmann function fitting accurately estimated the size of these homogeneous switching regions.

Conclusions:

  • The study defines the critical dimensions for homogeneous switching in nanoscale ferroelectrics.
  • The findings provide insights into the applicability of established theories at the nanoscale.
  • This research aids in the design and understanding of next-generation ferroelectric nanodevices.