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The recent observation of superconductivity in the vicinity of insulating or Fermi surface reconstructed metallic states has established twisted bilayers of WSe$_2$ as an exciting platform to study the interplay of strong electron-electron interactions, broken symmetries and topology. In this work, we study the emergence of electronic ordering in twisted WSe$_2$ driven by gate-screened Coulomb interactions. Our first-principles treatment begins by constructing moir\'e Wannier orbitals that faithfully capture the bandstructure and topology of the system and project the gate-screened Coulomb interaction onto them. Using unbiased functional renormalization group calculations, we find an interplay between intervalley-coherent antiferromagnetic order and chiral, mixed-parity $d/p$-wave superconductivity for carrier concentrations near the displacement field-tunable van-Hove singularity. Our microscopic approach establishes incommensurate intervalley-coherent antiferromagnetic spin fluctuations as the dominant electronic mechanism driving the formation of superconductivity in $\theta = 5.08^{\circ}$ twisted WSe$_2$ and demonstrates that nesting properties of the Fermi surface sheets near the higher-order van-Hove point cause an asymmetric density dependence of the spin ordering as the density is varied across the van-Hove line, in good agreement with experimental observations. We show how the region of superconducting and magnetic order evolves within the two-dimensional phase space of displacement field and electronic density as twist angle is varied between $4^{\circ} \dots 5^{\circ}$., Comment: 11 pages, 6 figures

Twisted bilayer graphene (tBLG) near the magic angle is a unique platform where the combination of topology and strong correlations gives rise to exotic electronic phases. These phases are gate-tunable and related to the presence of flat electronic bands, isolated by single-particle band gaps. This enables gate-controlled charge confinement, essential for the operation of single-electron transistors (SETs), and allows to explore the interplay of confinement, electron interactions, band renormalisation and the moir\'e superlattice, potentially revealing key paradigms of strong correlations. Here, we present gate-defined SETs in near-magic-angle tBLG with well-tunable Coulomb blockade resonances. These SETs allow to study magnetic field-induced quantum oscillations in the density of states of the source-drain reservoirs, providing insight into gate-tunable Fermi surfaces of tBLG. Comparison with tight-binding calculations highlights the importance of displacement-field-induced band renormalisation crucial for future advanced gate-tunable quantum devices and circuits in tBLG including e.g. quantum dots and Josephson junction arrays., Comment: 25 pages, 14 figures

We derive a minimal low-energy model for Bernal bilayer graphene and related rhombohedral graphene multilayers at low electronic densities by constructing Wannier orbitals defined in real-space supercells of the original primitive cell. Starting from an ab-initio electronic structure theory comprising the atomic carbon $p_z$-orbitals, momentum locality of the Fermi surface pockets around $K,K'$ is circumvented by backfolding the $\pi$-bands to the concomitant mini-Brillouin zone of the supercell, reminiscent of their (twisted) moir\'e counterparts. The supercell Wannier functions reproduce the spectral weight and Berry curvature of the microscopic model and offer an intuitive real-space picture of the emergent physics at low electronic densities being shaped by flavor-polarized wave packets with mesoscopic extent. By projecting an orbital-resolved, dual-gated Coulomb interaction to the effective Wannier basis, we find that the low-energy physics of Bernal bilayer graphene is governed by weak electron-electron interactions. Our study bridges between existing continuum theories and ab-initio studies of small Fermi pocket systems like rhombohedral graphene stacks by providing a symmetric lattice description of their low-energy physics., Comment: 8 pages, 3 figures, Supplementary Material

We report on the observation of negative electronic compressibility in twisted bilayer graphene for Fermi energies close to insulating states. To observe this negative compressibility, we take advantage of naturally occurring twist angle domains that emerge during the fabrication of the samples, leading to the formation of charge islands. We accurately measure their capacitance using Coulomb oscillations, from which we infer the compressibility of the electron gas. Notably, we not only observe the negative electronic compressibility near correlated insulating states at integer filling, but also prominently near the band insulating state at full filling, located at the edges of both the flat- and remote bands. Furthermore, the individual twist angle domains yield a well-defined carrier density, enabling us to quantify the strength of electronic interactions and verify the theoretical prediction that the inverse negative capacitance contribution is proportional to the average distance between the charge carriers. A detailed analysis of our findings suggests that Wigner crystallization is the most likely explanation for the observed negative electronic compressibility.

Understanding the origin of superconductivity in correlated two-dimensional materials is a key step in leveraging material engineering techniques for next-generation nanoscale devices. The recent demonstration of superconductivity in Bernal bilayer and rhombohedral trilayer graphene, as well as in a large family of graphene-based moir\'e systems, indicate a common superconducting mechanism across these platforms. Here we combine first principles simulations with effective low-energy theories to investigate the superconducting mechanism and pairing symmetry in rhombohedral stacked graphene multilayers. We find that a phonon-mediated attraction can quantitatively explain the main experimental findings, namely the displacement field and doping dependence of the critical temperature and the presence of two superconducting regions whose pairing symmetries depend on the parent normal state. In particular, we find that intra-valley phonon scattering favors a triplet $f$-wave pairing out of a spin and valley polarized normal state. We also propose a new and so far unexplored superconducting region at higher hole doping densities $n_h \approx 4 \times 10^{12}$ cm$^{-2}$, and demonstrate how this large hole-doped regime can be reached in heterostructures consisting of monolayer $\alpha$-RuCl$_3$ and rhombohedral trilayer graphene., Comment: 11 pages, 4 figures

Motivated by the recent experimental realization of ABCB stacked tetralayer graphene [Wirth et al., ACS Nano 16, 16617 (2022)], we study correlated phenomena in moir\'e-less graphene tetralayers for realistic interaction profiles using an orbital resolved random phase approximation approach. We demonstrate that magnetic fluctuations originating from local interactions are crucial close to the van Hove singularities on the electron- and hole-doped side promoting layer selective ferrimagnetic states. Spin fluctuations around these magnetic states enhance unconventional spin-triplet, valley-singlet superconductivity with $f$-wave symmetry due to intervalley scattering. Charge fluctuations arising from long range Coulomb interactions promote doubly degenerate p-wave superconductivity close to the van Hove singularities. At the conduction band edge of ABCB graphene, we find that both spin and charge fluctuations drive $f$-wave superconductivity. Our analysis suggests a strong competition between superconducting states emerging from long- and short-ranged Coulomb interactions and thus stresses the importance of microscopically derived interaction profiles to make reliable predictions for the origin of superconductivity in graphene based heterostructures., Comment: 5 pages, 4 figures, supplementary information

Moir\'e heterostructures hold the promise to provide platforms to tailor strongly correlated and topological states of matter. Here, we theoretically propose the emergence of an effective, rectangular moir\'e lattice in twisted bilayers of SnS with nonsymmorphic symmetry. Based on first-principles calculations, we demonstrate that strong intrinsic spin-orbit interactions render this tunable platform a moir\'e semimetal that hosts 2D hourglass fermions protected by time-reversal symmetry $\mathcal{T}$ and the nonsymmorphic screw rotation symmetry $\widetilde{\mathcal{C}}_{2y}$. We show that topological Fermi arcs connecting pairs of Weyl nodal points in the hourglass dispersion are preserved for weak electron-electron interactions, particularly in regions of superconducting order that emerge in the phase diagram of interaction strength and filling. Our work established moir\'e engineering as an inroad into the realm of correlated topological semimetals and may motivate further topology related researches in moir\'e heterostructures.

Evidence for correlated insulating and superconducting phases around regions of high density of states was reported in the strongly spin-orbit coupled van-der Waals material twisted tungsten diselenide (tWSe$_2$). We investigate their origin and interplay by using a functional renormalization group approach that allows to describe superconducting and spin/charge instabilities in an unbiased way. We map out the phase diagram as function of filling and perpendicular electric field, and find that the moir\'e Hubbard model for tWSe$_2$ features mixed-parity superconducting order parameters with $s/f$-wave and topological $d/p$-wave symmetry next to (incommensurate) density wave states. Our work systematically characterizes competing interaction-driven phases in tWSe$_2$ beyond mean-field approximations and provides guidance for experimental measurements by outlining the fingerprint of correlated states in interacting susceptibilities., Comment: 7 pages, 3 figures, supplemental material

In tetralayer graphene, three inequivalent layer stackings should exist, however, only rhombohedral (ABCA) and Bernal (ABAB) stacking have so far been observed. The three stacking sequences differ in their electronic structure, with the elusive third stacking (ABCB) being unique as it is predicted to exhibit an intrinsic bandgap as well as locally flat bands around the K points. Here, we use scattering-type scanning near-field optical microscopy and confocal Raman microscopy to identify and characterize domains of ABCB stacked tetralayer graphene. We differentiate between the three stacking sequences by addressing characteristic interband contributions in the optical conductivity between 0.28 and 0.56 eV with amplitude and phase-resolved near-field nano-spectroscopy. By normalizing adjacent flakes to each other, we achieve good agreement between theory and experiment, allowing for the unambiguous assignment of ABCB domains in tetralayer graphene. These results establish near-field spectroscopy at the interband transitions as a semi-quantitative tool, enabling the recognition of ABCB domains in tetralyer graphene flakes and therefore, providing a basis to study correlation physics of this exciting phase.

We study the electronic structure and correlated phases of twisted bilayers of platinum diselenide using large-scale ab initio simulations combined with the functional renormalization group. PtSe$_2$ is a group-X transition metal dichalcogenide, which hosts emergent flat bands at small twist angles in the twisted bilayer. Remarkably, we find that moir\'e engineering can be used to tune the strength of Rashba spin-orbit interactions, altering the electronic behavior in a novel manner. We reveal that an effective triangular lattice with a twist-controlled ratio between kinetic and spin-orbit coupling scales can be realized. Even dominant spin-orbit coupling can be accessed in this way and we discuss consequences for the interaction driven phase diagram, which features pronounced exotic superconducting and entangled spin-charge density waves., Comment: 13 pages, 4 figures

Magic-angle twisted trilayer graphene (MATTG) recently emerged as a highly tunable platform for studying correlated phases of matter, such as correlated insulators and superconductivity. Superconductivity occurs in a range of doping levels that is bounded by van Hove singularities which stimulates the debate of the origin and nature of superconductivity in this material. In this work, we discuss the role of spin-fluctuations arising from atomic-scale correlations in MATTG for the superconducting state. We show that in a phase diagram as function of doping ($\nu$) and temperature, nematic superconducting regions are surrounded by ferromagnetic states and that a superconducting dome with $T_c \approx 2\,\mathrm{K}$ appears between the integer fillings $\nu =-2$ and $\nu = -3$. Applying a perpendicular electric field enhances superconductivity on the electron-doped side which we relate to changes in the spin-fluctuation spectrum. We show that the nematic unconventional superconductivity leads to pronounced signatures in the local density of states detectable by scanning tunneling spectroscopy measurements., Comment: 14 pages, 3 figures, supplementary information

We demonstrate that the concept of moir\'e flat bands can be generalized to achieve electronic band engineering in all three spatial dimensions. For many two dimensional van der Waals materials, twisting two adjacent layers with respect to each other leads to flat electronic bands in the two corresponding spatial directions -- a notion sometimes referred to as twistronics as it enables a wealth of physical phenomena. Within this two dimensional plane, large moir\'e patterns of nanometer size form. The basic concept we propose here is to stack multiple twisted layers on top of each other in a predefined pattern. If the pattern is chosen such that with respect to the stacking direction of layers, the large spatial moir\'e features are spatially shifted from one twisted layer to the next, the system exhibits twist angle controlled flat bands in all of the three spatial directions. With this, our proposal extends the use of twistronic to three dimensions. We exemplify the general concept by considering graphitic systems, boron nitride and WSe$_2$ as candidate materials, but the approach is applicable to any two-dimensional van der Waals material. For hexagonal boron nitride we develope an ab initio fitted tight binding model that captures the corresponding three dimensional low-energy electronic structure. We outline that interesting three dimensional correlated phases of matter can be induced and controlled following this route, including quantum magnets and unconventional superconducting states., Comment: 17 pages, 4 figures

We investigate the interplay of magnetic fluctuations and Cooper pairing in twisted bilayer graphene from a purely microscopic model within a large-scale tight-binding approach resolving the \AA ngstr\"om scale. For local onsite repulsive interactions and using the random-phase approximation for spin fluctuations, we derive a microscopic effective pairing interaction that we use for self-consistent solutions of the Bogoliubov-de-Gennes equations of superconductivity. We study the predominant pairing types as function of interaction strength, temperature and band filling. For large regions of this parameter space, we find chiral $d$-wave pairing regimes, spontaneously breaking time-reversal symmetry, separated by magnetic instabilities at integer band fillings. Interestingly, the $d$-wave pairing is strongly concentrated in the AA regions of the moir\'e unit cell and exhibits phase windings of integer multiples of $2\pi$ around these superconducting islands, i.e. pinned vortices. The spontaneous circulating current creates a distinctive magnetic field pattern. This signature of the chiral pairing should be measurable by state-of-the-art experimental techniques., Comment: 5 pages, 3 figures