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Robust charge-density wave strengthened by electron correlations in monolayer 1T-TaSe2 and 1T-NbSe2.

Yuki NakataKatsuaki SugawaraAshish ChainaniHirofumi OkaChanghua BaoShaohua ZhouPei-Yu ChuangCheng-Maw ChengTappei KawakamiYasuaki SarutaTomoteru FukumuraShuyun ZhouTakashi TakahashiTakafumi Sato
Published in: Nature communications (2021)
Combination of low-dimensionality and electron correlation is vital for exotic quantum phenomena such as the Mott-insulating phase and high-temperature superconductivity. Transition-metal dichalcogenide (TMD) 1T-TaS2 has evoked great interest owing to its unique nonmagnetic Mott-insulator nature coupled with a charge-density-wave (CDW). To functionalize such a complex phase, it is essential to enhance the CDW-Mott transition temperature TCDW-Mott, whereas this was difficult for bulk TMDs with TCDW-Mott < 200 K. Here we report a strong-coupling 2D CDW-Mott phase with a transition temperature onset of ~530 K in monolayer 1T-TaSe2. Furthermore, the electron correlation derived lower Hubbard band survives under external perturbations such as carrier doping and photoexcitation, in contrast to the bulk counterpart. The enhanced Mott-Hubbard and CDW gaps for monolayer TaSe2 compared to NbSe2, originating in the lattice distortion assisted by strengthened correlations and disappearance of interlayer hopping, suggest stabilization of a likely nonmagnetic CDW-Mott insulator phase well above the room temperature. The present result lays the foundation for realizing monolayer CDW-Mott insulator based devices operating at room temperature.
Keyphrases
  • room temperature
  • solar cells
  • transition metal
  • ionic liquid
  • magnetic resonance
  • molecular dynamics