首页|Intrinsically asymmetric atomic character regulates piezoelectricity in two-dimensional materials
Intrinsically asymmetric atomic character regulates piezoelectricity in two-dimensional materials
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Decreasing of layer thickness causes the decrease of polarization until it disappears due to the existence of depolarization field.Therefore,the search for strong piezoelectric materials is highly desirable for multifunc-tional ultra-thin piezoelectric devices.Herein,we propose a common strat-egy for achieving strong piezoelectric materials through the electronic asymmetry induced by the intrinsically asymmetric atomic character of different chalcogen atoms.Accordingly,in the tetrahedral lattice struc-tures,for example,M4X3Y3(M=Pd/Ni,X/Y=S,Se or Te,X ≠ Y)monolayers are proved to display excellent out-of-plane piezoelectricity.Ni4Se3Te3 possesses the largest piezoelectric coefficient d33 of 61.57 pm/V,which is much larger than that of most 2D materials.Enhancing the electronic asymmetry further increases the out-of-plane piezoelectricity of Janus M4X3Y3 materials.Correspondingly,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.
piezoelectricityintrinsically asymmetric atomic characterratio of electronegativity differenceelectric dipole momentfirst-principles calculations
Yun-Qin Li、Qi-Wen He、Dai-Song Tang、Xiao Shang、Xiao-Chun Wang
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School of Physics Science and Information Technology,Liaocheng University,Liaocheng 252000,China
Key Laboratory of Polar Materials and Devices,Ministry of Education,Department of Electronics,East China Normal University,Shanghai 200241,China
Institute of Atomic and Molecular Physics,Jilin University,Changchun 130012,China
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