期刊
EPL
卷 132, 期 5, 页码 -出版社
IOP Publishing Ltd
DOI: 10.1209/0295-5075/132/57002
关键词
71; 20; -b; 77; 65; -j
资金
- Natural Science Foundation of Shaanxi Provincial Department of Education [19JK0809]
- Advanced Analysis and Computation Center of China University of Mining and Technology (CUMT)
Motived by experimentally synthesized (Hong Y. L. et al., Science, 369 (2020) 670), the intrinsic piezoelectricity in monolayer ( , W, Cr, Ti, Zr and Hf) are studied by density functional theory (DFT). Among the six monolayers, has the best piezoelectric strain coefficient d(11) of 1.24 pm/V, and the second is 1.15 pm/V for . Taking as a example, strain engineering is applied to improve d(11). It is found that tensile biaxial strain can enhance d(11) of , and the d(11) at 4% strain can improve by 107% with respect to the unstrained one. By replacing the N by P or As in , the d(11) can be raised substantially. For and , the d(11) is as high as 4.93 pm/V and 6.23 pm/V, which is mainly due to smaller and very small minus or positive ionic contribution to piezoelectric stress coefficient e(11) with respect to . The discovery of this piezoelectricity in monolayer enables active sensing, actuating and new electronic components for nanoscale devices, and is recommended for experimental exploration.
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