Ferromagnetism of 1T'-MoS2 Nanoribbons Stabilized by Edge Reconstruction and Its Periodic Variation on Nanoribbons Width

Kaiyun Chen; Junkai Deng; Xiangdong Ding; Jun Sun; Sen Yang; Jefferson Zhe Liu

doi:10.1021/jacs.8b09247

Ferromagnetism of 1T'-MoS₂ Nanoribbons Stabilized by Edge Reconstruction and Its Periodic Variation on Nanoribbons Width

J Am Chem Soc. 2018 Nov 28;140(47):16206-16212. doi: 10.1021/jacs.8b09247. Epub 2018 Nov 16.

Authors

Kaiyun Chen¹, Junkai Deng¹, Xiangdong Ding¹, Jun Sun¹, Sen Yang¹, Jefferson Zhe Liu²

Affiliations

¹ MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, State Key Laboratory for Mechanical Behavior of Materials , Xi'an Jiaotong University , Xi'an 710049 , China.
² Department of Mechanical Engineering , The University of Melbourne , Parkville , Victoria 3010 , Australia.

PMID: 30411616
DOI: 10.1021/jacs.8b09247

Abstract

Nanoribbons (NRs) of two-dimensional (2D) materials have attracted intensive research interests because of exotic physical properties at edges as well as tunable properties via width control. In this paper, using density functional theory (DFT) calculations, we discover sensitive dependence of magnetic properties of 1T'-MoS₂ NRs, that is, periodic variation of magnetic moments between 0.1 and 1.2 μ _B, on NR width (even or odd number of MoS₂ units). Our results reveal that a special edge reconstruction, which is not recognized before, stabilizes the ferromagnetic (FM) ground state. Our results also suggest that the FM state could be stable under ambient condition. This study indicates a promising means to integrate multiple magnetic units for small-scale functional devices, such as information storage and spintronics, on a single piece of MoS₂ NR by designing segments with different width.