Coexistence of intrinsic piezoelectricity, ferromagnetism, and nontrivial band topology in Li-decorated Janus monolayer Fe2SSe with a high Curie temperature

doi:10.1088/1361-6463/ac25b2

IMR OpenIR

	Coexistence of intrinsic piezoelectricity, ferromagnetism, and nontrivial band topology in Li-decorated Janus monolayer Fe2SSe with a high Curie temperature
	Guo,San-Dong 1; Mu,Wen-Qi 1; Yin,Meng-Yuan 1; Li,Yu-Chen 1; Ren,Wencai 2,3
通讯作者	Guo,San-Dong()
	2021-09-30
发表期刊	Journal of Physics D: Applied Physics
ISSN	0022-3727
卷号	54 期号:50
摘要	Abstract Recently, predictions have been made about quantum anomalous Hall (QAH) insulators in Lithium-decorated iron-based superconductor monolayer materials (LiFeX (X = S, Se and Te)) with very high Curie temperatures (0.00,0.00,1.00PRL 125, 086401 (2020)), which combine topological and ferromagnetic orders. It is interesting and useful to achieve the coexistence of intrinsic piezoelectricity, ferromagnetism, and nontrivial band topology in single two-dimensional (2D) materials, namely 2D piezoelectric quantum anomalous Hall insulators (PQAHIs). In this work, 2D Janus monolayer Li2Fe2SSe is predicted to be a room-temperature PQAHI, which possesses dynamic, mechanical, and thermal stabilities. It is predicted to be a half Dirac semimetal without spin–orbit coupling (SOC). It is found that the inclusion of SOC opens up a large nontrivial gap, which means nontrivial bulk topology (QAH insulator), confirmed by the calculation of Berry curvature and the presence of two chiral edge states (Chern number C = 2). Calculated results show that the monolayer Li2Fe2SSe possesses robust QAH states against biaxial strain and electronic correlations. Compared to LiFeX, the glide mirror Gz of Li2Fe2SSe disappears, which will only induce an out-of-plane piezoelectric response. The calculated out-of-plane d31 of the monolayer Li2Fe2SSe is ?0.238 pm?V?1, comparable with those of other known 2D materials. Moreover, a very high Curie temperature (about 1000 K) is predicted by using Monte Carlo simulations, which means that the QAH effect can be achieved at room temperature in the Janus monolayer Li2Fe2SSe. Similar to the monolayer Li2Fe2SSe, the PQAHI can also be realized in the Janus monolayer Li2Fe2SeTe. Our work opens a new avenue in searching for PQAHIs with high temperatures and high Chern numbers, which provide a potential platform for multi-functional spintronic applications.
关键词	ferromagnetism piezoelectronics topological insulator Janus monolayer
DOI	10.1088/1361-6463/ac25b2
语种	英语
WOS记录号	IOP:0022-3727-54-50-ac25b2
出版者	IOP Publishing
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/166914
专题	中国科学院金属研究所
通讯作者	Guo,San-Dong
作者单位	1.School of Electronic Engineering, Xi’an University of Posts and Telecommunications, Xi’an 710121, People’s Republic of China 2.Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, People’s Republic of China 3.School of Materials Science and Engineering, University of Science and Technology of China, Shenyang 110016, People’s Republic of China
推荐引用方式 GB/T 7714	Guo,San-Dong,Mu,Wen-Qi,Yin,Meng-Yuan,et al. Coexistence of intrinsic piezoelectricity, ferromagnetism, and nontrivial band topology in Li-decorated Janus monolayer Fe2SSe with a high Curie temperature[J]. Journal of Physics D: Applied Physics,2021,54(50).
APA	Guo,San-Dong,Mu,Wen-Qi,Yin,Meng-Yuan,Li,Yu-Chen,&Ren,Wencai.(2021).Coexistence of intrinsic piezoelectricity, ferromagnetism, and nontrivial band topology in Li-decorated Janus monolayer Fe2SSe with a high Curie temperature.Journal of Physics D: Applied Physics,54(50).
MLA	Guo,San-Dong,et al."Coexistence of intrinsic piezoelectricity, ferromagnetism, and nontrivial band topology in Li-decorated Janus monolayer Fe2SSe with a high Curie temperature".Journal of Physics D: Applied Physics 54.50(2021).