Tunable ferroelectric topological defects on 2D topological surfaces: strain engineering skyrmion-like polar structures in 2D materials
arxiv(2022)
Abstract
Polar topological structures in ferroelectric thin films have recently drawn
significant interest due to their fascinating physical behaviors and promising
applications in high-density nonvolatile memories. However, most polar
topological patterns are only observed in the perovskites superlattices. Here,
we report the discovery of the tunable ferroelectric polar topological
defective structures designed and achieved by strain engineering in
two-dimensional PbX (X=S, Se, and Te) materials using multiscale computational
simulations. First, the first-principles calculations demonstrate the
strain-induced recoverable ferroelectric phase transition in such 2D materials.
The unique polar topological vortex pattern is then induced by applied
mechanical indentation, evidenced by molecular dynamics simulations based on a
developed deep-learning potential. According to the strain phase diagram and
applied complex strain loadings, the diverse polar topological structures,
including antivortex structure and flux-closure structure, are predicted to be
emergent through the finite-element simulations. We conclude that strain
engineering is promising to tailor various designed reversible polar topologies
in ultra-flexible 2D materials, which provide excellent opportunities for
next-generation nanoelectronics and sensor devices.
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