Mechano-ferroelectric coupling: stabilization enhancement and polarization switching in bent AgBiP2Se6 monolayers

Two-dimensional (2D) van der Waals (vdW) ferroelectrics are core candidates for the event of next-generation non-volatile storage units, which rely extremely on ferroelectric stability and possible approaches to control the ferroelectric polarization and area. Right here, primarily based on density practical idea calculations, we show that the bending deformation can’t solely manipulate the polarization route and area measurement of AgBiP₂Se₆ monolayers but in addition considerably enhance the ferroelectric stability. The ordered polarization within the bent AgBiP₂Se₆ monolayers might be nicely maintained at a temperature of 200 Okay in molecular dynamics simulations; in contrast, it’s damaged at solely 100 Okay for his or her freestanding counterparts. These phenomena might be attributed to synergic results from the uneven pressure power induced by a pressure gradient and a decreased migration barrier of Ag ions from convex to concave surfaces. Extra curiously, a ferroelectric bubble might be induced within the monolayer beneath biaxial compression pressure. This mechano-ferroelectric coupling represents a brand new mechanism and possible route in the direction of stabilization and polarization flip in 2D ferroelectrics.