Intercalated architecture of MA(2)Z(4) family layered van der Waals materials with emerging topological, magnetic and superconducting properties

doi:10.1038/s41467-021-22324-8

IMR OpenIR

	Intercalated architecture of MA(2)Z(4) family layered van der Waals materials with emerging topological, magnetic and superconducting properties
	Wang, Lei 1,2; Shi, Yongpeng 1,2; Liu, Mingfeng 1,2; Zhang, Ao 3,4; Hong, Yi-Lun 1,2; Li, Ronghan 1; Gao, Qiang 1; Chen, Mingxing 3,4; Ren, Wencai 1,2; Cheng, Hui-Ming 1,2,5; Li, Yiyi 1,2; Chen, Xing-Qiu 1,2
通讯作者	Chen, Mingxing(mxchen@hunnu.edu.cn) ; Chen, Xing-Qiu(xingqiu.chen@imr.ac.cn)
	2021-04-21
发表期刊	NATURE COMMUNICATIONS
ISSN	2041-1723
卷号	12 期号:1 页码:10
摘要	The search for new two-dimensional monolayers with diverse electronic properties has attracted growing interest in recent years. Here, we present an approach to construct MA(2)Z(4) monolayers with a septuple-atomic-layer structure, that is, intercalating a MoS2-type monolayer MZ(2) into an InSe-type monolayer A(2)Z(2). We illustrate this unique strategy by means of first-principles calculations, which not only reproduce the structures of MoSi2N4 and MnBi2Te4 that were already experimentally synthesized, but also predict 72 compounds that are thermodynamically and dynamically stable. Such an intercalated architecture significantly reconstructs the band structures of the constituents MZ(2) and A(2)Z(2), leading to diverse electronic properties for MA(2)Z(4), which can be classified according to the total number of valence electrons. The systems with 32 and 34 valence electrons are mostly semiconductors. Whereas, those with 33 valence electrons can be nonmagnetic metals or ferromagnetic semiconductors. In particular, we find that, among the predicted compounds, (Ca,Sr)Ga2Te4 are topologically nontrivial by both the standard density functional theory and hybrid functional calculations. While VSi2P4 is a ferromagnetic semiconductor and TaSi2N4 is a type-I Ising superconductor. Moreover, WSi2P4 is a direct gap semiconductor with peculiar spin-valley properties, which are robust against interlayer interactions. Our study thus provides an effective way of designing septuple-atomic-layer MA(2)Z(4) with unusual electronic properties to draw immediate experimental interest. The discovery of a new two-dimensional van der Waals layered MoSi2N4 material inspires many attentions. Here, the authors report intercalation strategies to explore a much wider range of MA(2)Z(4) family and predict amount of materials accessible to experimental verifications with emergent topological, magnetic or Ising superconductivity properties.
资助者	National Science Fund for Distinguished Young Scholars ; National Natural Science Foundation of China ; Science Challenging Project ; Young Scholars Program of Shenyang National Laboratory for Materials Science ; Natural Science Foundation of Liaoning province ; China Postdoctoral Science Foundation
DOI	10.1038/s41467-021-22324-8
收录类别	SCI
语种	英语
资助项目	National Science Fund for Distinguished Young Scholars[51725103] ; National Natural Science Foundation of China[51671193] ; National Natural Science Foundation of China[11774084] ; National Natural Science Foundation of China[9183302] ; National Natural Science Foundation of China[U19A2090] ; Science Challenging Project[TZ2016004] ; Young Scholars Program of Shenyang National Laboratory for Materials Science[Y939LA01] ; Natural Science Foundation of Liaoning province[2020-BS-001] ; China Postdoctoral Science Foundation[2020T130659]
WOS研究方向	Science & Technology - Other Topics
WOS类目	Multidisciplinary Sciences
WOS记录号	WOS:000644222700006
出版者	NATURE RESEARCH
引用统计	被引频次：319[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/161876
专题	中国科学院金属研究所
通讯作者	Chen, Mingxing; Chen, Xing-Qiu
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 3.Hunan Normal Univ, Sch Phys & Elect, Key Lab Matter Microstruct & Funct Hunan Prov, Changsha 410081, Peoples R China 4.Minist Educ, Key Lab LowDimens Quantum Struct & Quantum Contro, Changsha 410081, Peoples R China 5.Tsinghua Univ, Tsinghua Berkeley Shenzhen Inst TBSI, Shenzhen Geim Graphene Ctr, Shenzhen 518055, Peoples R China
推荐引用方式 GB/T 7714	Wang, Lei,Shi, Yongpeng,Liu, Mingfeng,et al. Intercalated architecture of MA(2)Z(4) family layered van der Waals materials with emerging topological, magnetic and superconducting properties[J]. NATURE COMMUNICATIONS,2021,12(1):10.
APA	Wang, Lei.,Shi, Yongpeng.,Liu, Mingfeng.,Zhang, Ao.,Hong, Yi-Lun.,...&Chen, Xing-Qiu.(2021).Intercalated architecture of MA(2)Z(4) family layered van der Waals materials with emerging topological, magnetic and superconducting properties.NATURE COMMUNICATIONS,12(1),10.
MLA	Wang, Lei,et al."Intercalated architecture of MA(2)Z(4) family layered van der Waals materials with emerging topological, magnetic and superconducting properties".NATURE COMMUNICATIONS 12.1(2021):10.