Noncollinear ferrielectricity and morphotropic phase boundary in GeS monolayer

Abstract

Two-dimensional polarity is intriguing but remains in the early stage. Here a structural evolution diagram is established for GeS monolayer, which leads a noncollinear ferrielectric $\delta$-phase energetically as stable as the ferroelectric $\alpha$-phase. Its ferrielectricity is induced by the phonon frustration, i.e., the competition between ferroelectric and antiferroelectric modes, providing more routes to tune its polarity. Besides its prominent properties like large band gap, large polarization, and high Curie temperature, more interestingly, the morphotropic phase boundary between $\alpha$- and $\delta$-phases is highly possible, which is crucial to obtain giant piezoelectricity for lead-free applications.

arXiv comment6 pages, 5 figures

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