Strain-induced stripe phase in charge-ordered single layer NbSe2

Cossu, Fabrizio; Palotás, Krisztián; Sarkar, Sagar; Marco, Igor Di; Akbari, Alireza

doi:10.1038/s41427-020-0207-x

Cited by 19 publications

(12 citation statements)

References 72 publications

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“…[26][27][28] Strain-induced phase separation between 3 triangular and stripe phases in charge-ordered 1H-NbSe2 monolayer has been explored by ab initio calculations. [29] Compared with the bulk of 2H polymorph of NbSe2 and TaSe2, CDW instability can be strongly enhanced in the monolayer limit. [30,31] By contrast, the CDW order of bulk 2H-TaS2 vanishes in the 2D limit, accompanied with substantial enhancements of the superconductivity, indicating competition between CDW order and superconductivity down to the monolayer limit.…”

Section: Introductionmentioning

confidence: 99%

Charge density wave instability and pressure-induced superconductivity in bulk 1T−NbS2

Wang

Gao

et al. 2020

Phys. Rev. B

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Charge density wave (CDW) instability and pressure-induced superconductivity in bulk 1T-NbS2 are investigated by first-principles calculations. We reveal a CDW instability towards the formation of a stable commensurate CDW order, resulting in a √13 × √13 structure reconstruction featured with star-of-David clusters. The CDW phase exhibits one-dimensional metallic behavior with in-plane flat-band characteristics, and coexists with an orbital-density-wave order predominantly contributed by 4𝑑 𝑧 2 −𝑟 2 orbital from the central Nb of the star-of-David cluster. In addition, only simultaneously considering the interplane antiferromagnetic (AFM) ordering and Coulomb correlation effect can realize a transition from nonmagnetic metal to insulating AFM state.The CDW instability is driven by the softening of phonon modes due to strong electron-phonon coupling. Furthermore, the CDW can be suppressed under pressure and concomitant with superconductivity with increasing the applied pressures. Our theoretical predictions call for experimental investigations to further clarify the electronic structure and magnetic properties of the 1T-NbS2. Furthermore, it will be interesting to explore the possibility of CDW order coexisting with superconductivity in bulk 1T-NbS2.

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Section: Introductionmentioning

confidence: 99%

Charge density wave instability and pressure-induced superconductivity in bulk 1T−NbS2

Wang

Gao

et al. 2020

Phys. Rev. B

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“…39,40 Similarly, experimental studies have shown that strain affects the relative stability of various CDWs. 41,42 A recent study has also found that impurities in NbS 2 may induce CDW patterns around them, which may be incommensurate with the CDW patterns around other impurities. 14 Here, we computationally studied whether a small quantity of Re dopants can stabilize CDWs in NbS 2 .…”

Section: Resultsmentioning

confidence: 99%

“…It is also known that the stability of CDWs in NbSe 2 is sensitive to small changes made to the system. For example, computational studies have indicated that Na-intercalation suppresses CDWs, and the adsorptions of Co, Mn, K, and Ga unveil CDW configurations not found in the pristine material. , Similarly, experimental studies have shown that strain affects the relative stability of various CDWs. , A recent study has also found that impurities in NbS 2 may induce CDW patterns around them, which may be incommensurate with the CDW patterns around other impurities …”

Section: Resultsmentioning

confidence: 99%

Experimental and Theoretical Study of Possible Collective Electronic States in Exfoliable Re-Doped NbS₂

et al. 2021

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Metallic transition-metal dichalcogenides (TMDs) are rich material systems in which the interplay between strong electron−electron and electron−phonon interactions often results in a variety of collective electronic states, such as charge density waves (CDWs) and superconductivity. While most metallic group V TMDs exhibit coexisting superconducting and CDW phases, 2H-NbS 2 stands out with no charge ordering. Further, due to strong interlayer interaction, the preparation of ultrathin samples of 2H-NbS 2 has been challenging, limiting the exploration of presumably rich quantum phenomena in reduced dimensionality. Here, we demonstrate experimentally and theoretically that light substitutional doping of NbS 2 with heavy atoms is an effective approach to modify both interlayer interaction and collective electronic states in NbS 2 . Very low concentrations of Re dopants (<1%) make NbS 2 exfoliable (down to monolayer) while maintaining its 2H crystal structure and superconducting behavior. In addition, first-principles calculations suggest that Re dopants can stabilize some native CDW patterns that are not stable in pristine NbS 2 .

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“…Experimentally, the heavily electron-doped monolayer NbSe 2 also hosts a 2×2 CDW order [41]. Ab initio calculations have established the modulated crystal structure of the triangular 3a 0 [42][43][44] and stripe 4a 0 [45] CDW phases of monolayer 2H-NbSe 2 , but the crystal structure of the 2×2 CDW is not known. Due to the wide application of NbSe 2 [23,46] and the important role of substrate strain in monolayer materials, it is crucial to understand the structural ground state and electronic properties of this phase.…”

Section: Introductionmentioning

confidence: 99%

Topological charge density wave in monolayer NbSe2

Chiu,

Mardanya,

Markiewicz

et al. 2021

Preprint

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Despite the progress made in successful prediction of many classes of weakly-correlated topological materials, it is not clear how a topological order can emerge from interacting orders and whether or not a charge ordered topological state can exist in a two-dimensional (2D) material. Here, through first-principles modeling and analysis, we identify a 2×2 charge density wave (CDW) phase in monolayer 2H-NbSe 2 that harbors coexisting quantum spin Hall (QSH) insulator, topological crystalline insulator (TCI) and topological nodal line (TNL) semimetal states. The topology in monolayer NbSe 2 is driven by the formation of the CDW and the associated symmetry-breaking periodic lattice distortions and not via a pre-existing topology. Our finding of an emergent triple-topological state in monolayer 2H-NbSe 2 will offer novel possibilities for exploring connections between different topologies and a unique materials platform for controllable CDW-induced topological states for potential applications in quantum electronics and spintronics and Majorana-based quantum computing.

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Strain-induced stripe phase in charge-ordered single layer NbSe2

Cited by 19 publications

References 72 publications

Charge density wave instability and pressure-induced superconductivity in bulk 1T−NbS2

Charge density wave instability and pressure-induced superconductivity in bulk 1T−NbS2

Experimental and Theoretical Study of Possible Collective Electronic States in Exfoliable Re-Doped NbS₂

Topological charge density wave in monolayer NbSe2

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Strain-induced stripe phase in charge-ordered single layer NbSe2

Cited by 19 publications

References 72 publications

Charge density wave instability and pressure-induced superconductivity in bulk 1T−NbS2

Charge density wave instability and pressure-induced superconductivity in bulk 1T−NbS2

Experimental and Theoretical Study of Possible Collective Electronic States in Exfoliable Re-Doped NbS2

Topological charge density wave in monolayer NbSe2

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Product

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Experimental and Theoretical Study of Possible Collective Electronic States in Exfoliable Re-Doped NbS₂