Ab initio simulation studies on the room-temperature ferroelectricity in two-dimensional β -phase GeS

Huabing Yin, Chang Liu, Guang Ping Zheng, Yuanxu Wang, Fengzhu Ren

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Stable ferroelectricity with an in-plane spontaneous polarization of 2.00 × 10-10 C/m is found in two-dimensional (2D) β-GeS monolayers from theoretical calculations, which can be effectively tuned by the applied tensile strains. The Curie temperature of the monolayer is evaluated to be 358 K by ab initio molecular dynamics simulations. Remarkably, the 2D ferroelectricity is found to exist in 2D few-layer β-GeS nanosheets which could be synthesized in experiments. The strong spontaneous polarization and giant pyroelectric coefficient accompanied by the appearance of phase transition near room temperature facilitate the development of β-GeS monolayers or nanosheets for applications in ferroelectric, pyroelectric, and piezoelectric devices with superior performance.

Original languageEnglish
Article number192903
JournalApplied Physics Letters
Issue number19
Publication statusPublished - 13 May 2019

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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