Pressure-tuned many-body phases through $Γ$-K valleytronics in moiré bilayer WSe$_2$
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| Format: | Preprint |
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2024
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| _version_ | 1866908572316598272 |
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| author | Brzezińska, Marta Grytsiuk, Sergii Rösner, Malte Gibertini, Marco Rademaker, Louk |
| author_facet | Brzezińska, Marta Grytsiuk, Sergii Rösner, Malte Gibertini, Marco Rademaker, Louk |
| contents | Recent experiments in twisted bilayer transition-metal dichalcogenides have revealed a variety of strongly correlated phenomena. To theoretically explore their origin, we combine here ab initio calculations with correlated model approaches to describe and study many-body effects in twisted bilayer WSe$_2$ under pressure. We find that the interlayer distance is a key factor for the electronic structure, as it tunes the relative energetic positions between the K and the $Γ$ valleys of the valence band maximum of the untwisted bilayer. As a result, applying uniaxial pressure to a twisted bilayer induces a charge-transfer from the K valley to the flat bands in the $Γ$ valley. Upon Wannierizing moiré bands from both valleys, we establish the relevant tight-binding model parameters and calculate the effective interaction strengths using the constrained random phase approximation. With this, we approximate the interacting pressure-doping phase diagram of WSe$_2$ moiré bilayers using self-consistent mean field theory. Our results establish twisted bilayer WSe$_2$ as a platform that allows the direct pressure-tuning of different correlated phases, ranging from Mott insulators, charge-valley-transfer insulators to Kondo lattice-like systems. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2404_07165 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Pressure-tuned many-body phases through $Γ$-K valleytronics in moiré bilayer WSe$_2$ Brzezińska, Marta Grytsiuk, Sergii Rösner, Malte Gibertini, Marco Rademaker, Louk Strongly Correlated Electrons Mesoscale and Nanoscale Physics Materials Science Recent experiments in twisted bilayer transition-metal dichalcogenides have revealed a variety of strongly correlated phenomena. To theoretically explore their origin, we combine here ab initio calculations with correlated model approaches to describe and study many-body effects in twisted bilayer WSe$_2$ under pressure. We find that the interlayer distance is a key factor for the electronic structure, as it tunes the relative energetic positions between the K and the $Γ$ valleys of the valence band maximum of the untwisted bilayer. As a result, applying uniaxial pressure to a twisted bilayer induces a charge-transfer from the K valley to the flat bands in the $Γ$ valley. Upon Wannierizing moiré bands from both valleys, we establish the relevant tight-binding model parameters and calculate the effective interaction strengths using the constrained random phase approximation. With this, we approximate the interacting pressure-doping phase diagram of WSe$_2$ moiré bilayers using self-consistent mean field theory. Our results establish twisted bilayer WSe$_2$ as a platform that allows the direct pressure-tuning of different correlated phases, ranging from Mott insulators, charge-valley-transfer insulators to Kondo lattice-like systems. |
| title | Pressure-tuned many-body phases through $Γ$-K valleytronics in moiré bilayer WSe$_2$ |
| topic | Strongly Correlated Electrons Mesoscale and Nanoscale Physics Materials Science |
| url | https://arxiv.org/abs/2404.07165 |