Multifunctional two-dimensional van der Waals Janus magnet Cr-based dichalcogenide halides

Hou, Yusheng; Xue, Feng; Qiu, Liang; Wang, Zhe; Wu, Ruqian

doi:10.1038/s41524-022-00802-x

Title: Multifunctional two-dimensional van der Waals Janus magnet Cr-based dichalcogenide halides

Journal Article · 26 May 2022 · npj Computational Materials

DOI: https://doi.org/10.1038/s41524-022-00802-x · OSTI ID:1978601

^[1]; Xue, Feng ^[2]; Qiu, Liang ^[3]; Wang, Zhe ^[4];

^[5]

Sun Yat-Sen University, Guangzhou (China); Sun Yat-Sen University, China
Tsinghua University, Beijing (China); Frontier Science Center for Quantum Information, Beijing (China)
Sun Yat-Sen University, Guangzhou (China)
Fudan University, Shanghai (China)
University of California, Irvine, CA (United States)

Two-dimensional van der Waals Janus materials and their heterostructures offer fertile platforms for designing fascinating functionalities. Here, by means of systematic first-principles studies on van der Waals Janus monolayer Cr-based dichalcogenide halides CrYX (Y = S, Se, Te; X = Cl, Br, I), we find that CrSX (X = Cl, Br, I) are the very desirable high T_C ferromagnetic semiconductors with an out-of-plane magnetization. Excitingly, by the benefit of the large magnetic moments on ligand S^2- anions, the sought-after large-gap quantum anomalous Hall effect and sizable valley splitting can be achieved through the magnetic proximity effect in van der Waals heterostructures CrSBr/Bi₂Se₃/CrSBr and MoTe₂/CrSBr, respectively. Additionally, we show that large Dzyaloshinskii–Moriya interactions give rise to skyrmion states in CrTeX (X = Cl, Br, I) under external magnetic fields. Our work reveals that two-dimensional Janus magnet Cr-based dichalcogenide halides have appealing multifunctionalities in the applications of topological electronic and valleytronic devices.

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Research Organization:: University of California, Irvine, CA (United States)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-05ER46237

OSTI ID:: 1978601

Journal Information:: npj Computational Materials, Journal Name: npj Computational Materials Journal Issue: 1 Vol. 8; ISSN 2057-3960

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Multifunctional two-dimensional van der Waals Janus magnet Cr-based dichalcogenide halides

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