Origin and stability of generalized Wigner crystallinity in triangular moiré systems

Abstract: Generalized Wigner crystals (GWC) on triangular moir\'e superlattices, formed from stacking two layers of transition metal chalcogenides, have been recently observed at multiple fractional fillings of the moir\'e unit cell [Nature 587, 214 - 218 (2020), Nat. Phys. 17, 715 - 719 (2021), Nature 597, 650 - 654 (2021)]. Motivated by these experiments, tied with the need for an accurate microscopic description of these materials, we explore the theoretical origins of GWC at $n=1/3$ and $2/3$ filling. We demonstrate the limitations of theoretical descriptions of these moir\'e GWCs relying on truncated (finite-range) electron-electron interactions instead of a long-range Coulomb interaction. We validate our findings by studying both classical and quantum mechanical effects at zero and finite temperatures. More generally, we discuss the role of charge frustration in the theoretical extended Hubbard-model phase diagram, identifying a "pinball" phase, a partially quantum melted generalized Wigner crystal with coexisting solid and liquid-like features, with no classical analog. Quantum effects also explain the small, but experimentally detectable, asymmetry in the transition temperatures of the $n=1/3$ and $2/3$ crystals. Our calculations reveal that the charge ordering temperature and the magnetic crossover temperature predicted using the long-range Coulomb interaction are correctly captured with appropriately renormalized nearest-neighbor interactions. The effective nearest-neighbor interaction strength is significantly weaker than previously reported, placing it close to a metal-insulator phase boundary. This observation has implications for future experiments that we discuss. We conclude by studying the dependence of melting temperatures on gate-to-sample separation and we also predict temperature scales at which magnetic crossovers should be observed.