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

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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… Click to show full 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-NbSe 2 to elucidate the energy of the Mott upper Hubbard band (UHB), and reveal that the spin-polarized UHB is spatially distributed away from the dz 2 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-NbSe 2 , we provide novel insights into the relation between the correlated and collective electronic structures in monolayer 2D systems. The relationship between Mott state and charge density wave state in two dimensional materials remains unclear. Here, Liu et al. reveal spatial distribution of a Mott-Hubbard band in monolayer 1T-NbSe 2 forming a new periodic pattern in addition to the well-known CDW pattern.

Keywords: mott hubbard; mott; charge density; hubbard band

Journal Title: Nature Communications
Year Published: 2021

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