Dynamical control of Coulomb interactions and Hubbard bands in monolayer 1T-TaS$_2$
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| Format: | Preprint |
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2025
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| _version_ | 1866918470379110400 |
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| author | Notter, Niklas Aichhorn, Markus Galler, Anna |
| author_facet | Notter, Niklas Aichhorn, Markus Galler, Anna |
| contents | Monolayer 1T-TaS$_2$ hosts a star-of-David charge-density wave (CDW) that stabilizes a low-temperature Mott-insulating state. Recent time-resolved spectroscopies indicate a coupling between the CDW amplitude mode and the electronic correlation strength, yet the role of the screened Coulomb interaction remains unclear. Using the constrained random-phase approximation, we show that the CDW amplitude modifies the bare and screened on-site interactions, leading to sizable variations in the effective Hubbard U. Our combined density functional and dynamical mean-field theory calculations reveal that the Hubbard bands shift in concert with the CDW amplitude, and that a reduced distortion drives a transition from a Mott insulator to a correlated metal. These results demonstrate a direct link between lattice distortions and Coulomb interactions in transition-metal dichalcogenides, providing a microscopic mechanism for light-induced control of correlated phases in two-dimensional quantum materials. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2510_26584 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Dynamical control of Coulomb interactions and Hubbard bands in monolayer 1T-TaS$_2$ Notter, Niklas Aichhorn, Markus Galler, Anna Strongly Correlated Electrons Materials Science Monolayer 1T-TaS$_2$ hosts a star-of-David charge-density wave (CDW) that stabilizes a low-temperature Mott-insulating state. Recent time-resolved spectroscopies indicate a coupling between the CDW amplitude mode and the electronic correlation strength, yet the role of the screened Coulomb interaction remains unclear. Using the constrained random-phase approximation, we show that the CDW amplitude modifies the bare and screened on-site interactions, leading to sizable variations in the effective Hubbard U. Our combined density functional and dynamical mean-field theory calculations reveal that the Hubbard bands shift in concert with the CDW amplitude, and that a reduced distortion drives a transition from a Mott insulator to a correlated metal. These results demonstrate a direct link between lattice distortions and Coulomb interactions in transition-metal dichalcogenides, providing a microscopic mechanism for light-induced control of correlated phases in two-dimensional quantum materials. |
| title | Dynamical control of Coulomb interactions and Hubbard bands in monolayer 1T-TaS$_2$ |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2510.26584 |