Switching between Mott-Hubbard and Hund Physics in Moiré Quantum Simulators.
Siheon RyeeTim O WehlingPublished in: Nano letters (2023)
Mott-Hubbard and Hund electron correlations have been realized thus far in separate classes of materials. Here, we show that a single moiré homobilayer encompasses both kinds of physics in a controllable manner. We develop a microscopic multiband model that we solve by dynamical mean-field theory to nonperturbatively address the local many-body correlations. We demonstrate how tuning with twist angle, dielectric screening, and hole density allows us to switch between Mott-Hubbard and Hund correlated states in a twisted WSe 2 bilayer. The underlying mechanism is based on controlling Coulomb-interaction-driven orbital polarization and the energetics of concomitant local singlet and triplet spin configurations. From a comparison to recent experimental transport data, we find signatures of a filling-controlled transition from a triplet charge-transfer insulator to a Hund-Mott metal. Our finding establishes twisted transition-metal dichalcogenides as a tunable platform for exotic phases of quantum matter emerging from large local spin moments.
Keyphrases
- transition metal
- energy transfer
- density functional theory
- molecular dynamics
- quantum dots
- room temperature
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