铁弹性
压电
单层
各向异性
材料科学
凝聚态物理
平面(几何)
结晶学
纳米技术
复合材料
化学
物理
铁电性
光电子学
光学
数学
几何学
电介质
作者
Yunqin Li,Hena Zhang,Chunhua Yang,Xinyu Wang,Shiyu Zhu,Xiaochun Wang
标识
DOI:10.1016/j.apsusc.2022.155202
摘要
Two-dimensional materials with ferroelasticity, directional control of electronic behaviors and strong piezoelectricity are highly desirable for developing advanced multifunctional nanodevices. Here, we report the new tetragonal Zr2P2XY (X/Y = I, Br, Cl or F; X ≠ Y) monolayers with intrinsic ferroelasticity and remarkable piezoelectricity, based on first-principles calculation. These novel monolayers with semiconductor properties are dynamically, thermally and mechanically stable. The promising anisotropic properties of both mechanics and electron can be perpendicularly controlled based on the intrinsic ferroelasticity. Moderate switching barriers and reversible ferroelastic strains demonstrate their excellent ferroelastic performances along in-plane direction. Additionally, the inhomogeneous charge distribution caused by mirror asymmetry endows these monolayers with strong out-of-plane piezoelectricity. The remarkable piezoelectric strain coefficient d33 = 129.705 pm/V found in Zr2P2BrCl monolayer is two orders of magnitude higher than that of MoSTe multilayer. The Zr2P2BrCl monolayer has such excellent ferroelasticity, controllable anisotropic electronic properties along in-plane directions, and strong piezoelectricity along out-of-plane direction. It provides a unique platform for memory devices, robot bionic skin, or multipurpose nanodevices that require the special electronic and piezoelectric properties along different directions at same time.
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