Intrinsically asymmetric atomic character regulates piezoelectricity in two-dimensional materials
作者机构：School of Physics Science and Information TechnologyLiaocheng UniversityLiaocheng 252000China Key Laboratory of Polar Materials and DevicesMinistry of EducationDepartment of ElectronicsEast China Normal UniversityShanghai 200241China Institute of Atomic and Molecular PhysicsJilin UniversityChangchun 130012China
出 版 物：《Frontiers of physics》 (物理学前沿（英文版）)
年 卷 期：2024年第19卷第3期
页 面：153-162页
核心收录：
学科分类：07[理学] 0701[理学-数学] 070101[理学-基础数学]
基 金：the National Natural Science Foundation of China(Grant No.11474123)
主 题：piezoelectricity intrinsically asymmetric atomic character ratio of electronegativity difference electric dipole moment first-principles calculations
摘 要：Decreasing of layer thickness causes the decrease of polarization until it disappears due to the existence of depolarization ***,the search for strong piezoelectric materials is highly desirable for multifunctional ultra-thin piezoelectric ***,we propose a common strategy for achieving strong piezoelectric materials through the electronic asymmetry induced by the intrinsically asymmetric atomic character of different chalcogen ***,in the tetrahedral lattice structures,for example,M4X3Y3(M=Pd/Ni,X/Y=S,Se or Te,X≠Y)monolayers are proved to display excellent out-of-plane ***4Se3Te3 possesses the largest piezoelectric coefficient d33 of 61.57 pm/V,which is much larger than that of most 2D *** the electronic asymmetry further increases the out-of-plane piezoelectricity of Janus M4X3Y3 ***,the out-of-plane piezoelectricity is positively correlated with the ratio of electronegativity difference(Red)and the electric dipole moment(P).This work provides alternative materials for energy harvesting nano-devices or self-energized wearable devices,and supplies a valuable guideline for predicting 2D materials with strong out-of-plane piezoelectricity.
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