Unconventional linear flexoelectricity in two-dimensional materials

arxiv(2023)

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摘要
We predict a large in-plane polarization response to bending in a broad class of trigonal two-dimensional crystals. We define and compute the relevant flexoelectric coefficients from first principles as linear-response properties of the undistorted layer, by using the primitive crystal cell. The ensuing response (evaluated for SnS$_{2}$, silicene, phosphorene and RhI$_{3}$ monolayers and for an h-BN bilayer) is up to one order of magnitude larger than the out-of-plane components in the same material. We illustrate the implications of our findings by calculating the spontaneous axial polarization in nanotubes of arbitrary geometry, and the longitudinal electric fields induced by a flexural phonon.
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