铁电性
热电性
居里温度
单层
材料科学
凝聚态物理
极化(电化学)
压电
从头算
相变
从头算量子化学方法
相(物质)
结晶学
纳米技术
光电子学
化学
复合材料
物理化学
物理
铁磁性
分子
电介质
有机化学
作者
Huabing Yin,Chang Liu,Guang Zheng,Yuanxu Wang,Fengzhu Ren
摘要
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.
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