Bending-induced isostructural transitions in ultrathin layers of van der Waals ferrielectrics

Anna N. Morozovska, Eugene A. Eliseev, Yongtao Liu, Kyle P. Kelley, Ayana Ghosh, Ying Liu, Jinyuan Yao, Nicholas V. Morozovsky, Andrei L. Kholkin, Yulian M. Vysochanskii, Sergei V. Kalinin

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Using Landau-Ginzburg-Devonshire (LGD) phenomenological approach we analyze the bending-induced re-distribution of electric polarization and field, elastic stresses and strains inside ultrathin layers of van der Waals ferrielectrics. We consider a CuInP2S6 (CIPS) thin layer with fixed edges and suspended central part, the bending of which is induced by external forces. The unique aspect of CIPS is the existence of two ferrielectric states, FI1 and FI2, corresponding to big and small polarization values, which arise due to the specific four-well potential of the eighth-order LGD functional. When the CIPS layer is flat, the single-domain FI1 state is stable in the central part of the layer, and the FI2 states are stable near the fixed edges. With an increase of the layer bending below the critical value, the sizes of the FI2 states near the fixed edges decreases, and the size of the FI1 region increases. When the bending exceeds the critical value, the edge FI2 states disappear being substituted by the FI1 state, but they appear abruptly near the inflection regions and expand as the bending increases. The bending-induced isostructural FI1-FI2 transition is specific for the bended van der Waals ferrielectrics described by the eighth (or higher) order LGD functional with consideration of linear and nonlinear electrostriction couplings. The isostructural transition, which is revealed in the vicinity of room temperature, can significantly reduce the coercive voltage of ferroelectric polarization reversal in CIPS nanoflakes, allowing for the curvature-engineering control of various flexible nanodevices.

Original languageEnglish (US)
Article number119519
JournalActa Materialia
StatePublished - Jan 15 2024

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Polymers and Plastics
  • Metals and Alloys

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