Direct identification of Mott Hubbard band pattern beyond charge density wave superlattice in monolayer 1T-NbSe2

Liwei Liu; Han Yang; Yuting Huang; Xuan Song; Quanzhen Zhang; Zeping Huang; Yanhui Hou; Yaoyao Chen; Ziqiang Xu; Teng Zhang; Xu Wu; Jiatao Sun; Yuan Huang; Fawei Zheng; Xianbin Li; Yugui Yao; Hong Jun Gao; Yeliang Wang

doi:10.1038/s41467-021-22233-w

Direct identification of Mott Hubbard band pattern beyond charge density wave superlattice in monolayer 1T-NbSe₂

Liwei Liu^*, Han Yang, Yuting Huang, Xuan Song, Quanzhen Zhang, Zeping Huang, Yanhui Hou, Yaoyao Chen, Ziqiang Xu, Teng Zhang, Xu Wu, Jiatao Sun, Yuan Huang, Fawei Zheng, Xianbin Li, Yugui Yao, Hong Jun Gao, Yeliang Wang

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

59 Citations (Scopus)

Abstract

Understanding Mott insulators and charge density waves (CDW) is critical for both fundamental physics and future device applications. However, the relationship between these two phenomena remains unclear, particularly in systems close to two-dimensional (2D) limit. In this study, we utilize scanning tunneling microscopy/spectroscopy to investigate monolayer 1T-NbSe₂ to elucidate the energy of the Mott upper Hubbard band (UHB), and reveal that the spin-polarized UHB is spatially distributed away from the dz² orbital at the center of the CDW unit. Moreover, the UHB shows a √3 × √3 R30° periodicity in addition to the typically observed CDW pattern. Furthermore, a pattern similar to the CDW order is visible deep in the Mott gap, exhibiting CDW without contribution of the Mott Hubbard band. Based on these findings in monolayer 1T-NbSe₂, we provide novel insights into the relation between the correlated and collective electronic structures in monolayer 2D systems.

Original language	English
Article number	1978
Journal	Nature Communications
Volume	12
Issue number	1
DOIs	https://doi.org/10.1038/s41467-021-22233-w
Publication status	Published - 1 Dec 2021

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Liu, L., Yang, H., Huang, Y., Song, X., Zhang, Q., Huang, Z., Hou, Y., Chen, Y., Xu, Z., Zhang, T., Wu, X., Sun, J., Huang, Y., Zheng, F., Li, X., Yao, Y., Gao, H. J., & Wang, Y. (2021). Direct identification of Mott Hubbard band pattern beyond charge density wave superlattice in monolayer 1T-NbSe₂. Nature Communications, 12(1), Article 1978. https://doi.org/10.1038/s41467-021-22233-w

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abstract = "Understanding Mott insulators and charge density waves (CDW) is critical for both fundamental physics and future device applications. However, the relationship between these two phenomena remains unclear, particularly in systems close to two-dimensional (2D) limit. In this study, we utilize scanning tunneling microscopy/spectroscopy to investigate monolayer 1T-NbSe2 to elucidate the energy of the Mott upper Hubbard band (UHB), and reveal that the spin-polarized UHB is spatially distributed away from the dz2 orbital at the center of the CDW unit. Moreover, the UHB shows a √3 × √3 R30° periodicity in addition to the typically observed CDW pattern. Furthermore, a pattern similar to the CDW order is visible deep in the Mott gap, exhibiting CDW without contribution of the Mott Hubbard band. Based on these findings in monolayer 1T-NbSe2, we provide novel insights into the relation between the correlated and collective electronic structures in monolayer 2D systems.",

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AU - Huang, Zeping

AU - Hou, Yanhui

AU - Chen, Yaoyao

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Direct identification of Mott Hubbard band pattern beyond charge density wave superlattice in monolayer 1T-NbSe₂

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