1 School of Physics Science and Information Technology, Liaocheng University, Liaocheng 252000, China; 2 Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China
Abstract It is challenging to reveal the design strategy for strong piezoelectricity nano-materials used in self-powered and smart nano-devices. Through first-principles calculations, an atom-layer-pair effect is found in MoSiN monolayers with remarkable piezoelectricity. The absolute values of the vertical piezoelectric coefficients have a linear relation with the total electronegativity difference dipole moments. Based on this effect, a promising CrSiNSn monolayer is found with the highest piezoelectricity among the above monolayers. The work expands our understanding of the piezoelectric physical mechanism and provides the design strategy for piezoelectric nano-devices.
(Electronic structure of nanoscale materials and related systems)
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11474123).
Corresponding Authors:
Xiao-Chun Wang
E-mail: wangxiaochun@tsinghua.org.cn
Cite this article:
Qi-Wen He(贺绮雯), Dan-Yang Zhu(朱丹阳), Jun-Hui Wang(王俊辉), He-Na Zhang(张贺娜), Xiao Shang(尚骁), Shou-Xin Cui(崔守鑫), and Xiao-Chun Wang(王晓春) Effective strategy of enhancing piezoelectricity in stable CrSiN4Sn semiconductor monolayers by atom-layer-pair effect 2025 Chin. Phys. B 34 057701
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