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In-Plane Flexoelectricity in Two-Dimensional D3d Crystals
25 February 2024
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 SnS2, silicene, phosphorene, and RhI3 monolayers and for a hexagonal BN bilayer) is up to 1 order of magnitude larger than the out-of-plane components in the same material. We illustrate the topological implications of our findings by calculating the polarization textures that are associated with a variety of rippled and bent structures. We also determine the longitudinal electric fields induced by a flexural phonon at leading order in amplitude and momentum.
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In-Plane Flexoelectricity in Two-Dimensional D3d Crystals

Matteo Springolo, Miquel Royo, and Massimiliano Stengel

Phys. Rev. Lett. 131, 236203 – Published 8 December 2023