Lone-pair activated ferroelectricity and stable charged domain wall in Bi monolayer.

ABSTRACT: Ferroelectricity has been predicted in two-dimensional Group-Va elemental materials and confirmed in high-quality Bi monolayers by a recent experiment. The origin of such elemental ferroelectricity is related to the spontaneous lattice distortion with atomic layer buckling. A surprising observation in experiment is the abundance of charged 180° head-to-head/tail-to-tail domain walls, distinct from conventional ferroelectrics, where the naturally occurring ferroelectric domain walls are mostly charge neutral. Here, we clarify the origin of this phenomenon. We find that distinct from conventional ferroelectrics, in such single-element ferroelectric monolayers, it is the strain energy rather than the electrostatic energy that dominates the energetics. This leads to intrinsically stable 180° c

SUBMITTER: Zhong S 

PROVIDER: S-EPMC11436895 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature