Intrinsic piezoelectricity in monolayer MSi2N4 (M = Mo, W, Cr, Ti, Zr and Hf)

doi:10.1209/0295-5075/132/57002

CORC > 金属研究所 > 中国科学院金属研究所

	Intrinsic piezoelectricity in monolayer MSi2N4 (M = Mo, W, Cr, Ti, Zr and Hf)
	Guo, San-Dong 3,4; Zhu, Yu-Tong 3; Mu, Wen-Qi 3; Ren, Wen-Cai 1,2
刊名	EPL
	2020-12-01
卷号	132 期号:5 页码:6
关键词	71 20 -b 77 65 -j
ISSN号	0295-5075
DOI	10.1209/0295-5075/132/57002
通讯作者	Guo, San-Dong(sandongyuwang@163.com)
英文摘要	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.
资助项目	Natural Science Foundation of Shaanxi Provincial Department of Education[19JK0809] ; Advanced Analysis and Computation Center of China University of Mining and Technology (CUMT)
WOS研究方向	Physics
语种	英语
出版者	IOP PUBLISHING LTD
WOS记录号	WOS:000614620700002
资助机构	Natural Science Foundation of Shaanxi Provincial Department of Education ; Advanced Analysis and Computation Center of China University of Mining and Technology (CUMT)
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/159111]
专题	金属研究所_中国科学院金属研究所
通讯作者	Guo, San-Dong
作者单位	1.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China 3.Xian Univ Posts & Telecommun, Sch Elect Engn, Xian 710121, Peoples R China 4.Xian Univ Posts & Telecommun, Key Lab Adv Semicond Devices & Mat, Xian 710121, Peoples R China
推荐引用方式 GB/T 7714	Guo, San-Dong,Zhu, Yu-Tong,Mu, Wen-Qi,et al. Intrinsic piezoelectricity in monolayer MSi2N4 (M = Mo, W, Cr, Ti, Zr and Hf)[J]. EPL,2020,132(5):6.
APA	Guo, San-Dong,Zhu, Yu-Tong,Mu, Wen-Qi,&Ren, Wen-Cai.(2020).Intrinsic piezoelectricity in monolayer MSi2N4 (M = Mo, W, Cr, Ti, Zr and Hf).EPL,132(5),6.
MLA	Guo, San-Dong,et al."Intrinsic piezoelectricity in monolayer MSi2N4 (M = Mo, W, Cr, Ti, Zr and Hf)".EPL 132.5(2020):6.