Moiré flat bands in twisted 2D hexagonal vdW materials

Moiré superlattices in twisted bilayer graphene (TBG) and its derived structures can host exotic correlated quantum phenomena because the narrow moiré flat minibands in those systems effectively enhance the electron-electron interaction. Correlated phenomena are also observed in 2H-transitional metal dichalcogenides moiré superlattices. However, the number of moiré systems that have been explored in experiments are still very limited. Here we theoretically investigate a series of two-dimensional (2D) twisted bilayer hexagonal materials (TBHMs) beyond TBG at fixed angles of 7.34◦ and 67.34◦ with 22 2D van der Waals (vdW) layered materials that are commonly studied in experiments. First-principles calculations are employed to systemically study the moiré minibands in these systems. We find that flat bands with narrow bandwidth generally exist in these systems. Some of the systems such as twisted bilayer In2Se3, InSe, GaSe, GaS and PtS2 even host ultra-flat bands with bandwidth less than 20 meV even for such large angles, which make them especially appealing for further experimental investigations. We further analysis the characters of moiré flat bands and provides guidance for further exploration of 2D moiré superlattices that could host strong electron correlations.

Evidence for strong electron correlations in a nonsymmorphic Dirac semimetal

Metallic iridium oxides (iridates) provide a fertile playground to explore new phenomena resulting from the interplay between topological protection, spin-orbit and electron-electron interactions. To date, however, few studies of the low energy electronic excitations exist due to the difficulty in synthesising crystals with sufficiently large carrier mean-free-paths. Here, we report the observation of Shubnikov-de Haas quantum oscillations in high-quality single crystals of monoclinic SrIrO3 in magnetic fields up to 35 T. Analysis of the oscillations reveals a Fermi surface comprising multiple small pockets with effective masses up to 4.5 times larger than the calculated band mass. Ab-initio calculations reveal robust linear band-crossings at the Brillouin zone boundary, due to its non-symmorphic symmetry, and overall we find good agreement between the angular dependence of the oscillations and the theoretical expectations. Further evidence of strong electron correlations is realized through the observation of signatures of non-Fermi liquid transport as well as a large Kadowaki-Woods ratio. These collective findings, coupled with knowledge of the evolution of the electronic state across the Ruddlesden-Popper iridate series, establishes monoclinic SrIrO3 as a topological semimetal on the boundary of the Mott metal-insulator transition.

Realization of electron antidoping by modulating the breathing distortion in BaBiO3

The recent proposal of antidoping scheme breaks new ground in conceiving conversely functional materials and devices, yet the few available examples belong to the correlated electron systems. Here we demonstrate both theoretically and experimentally that the main group oxide BaBiO3 is a model system for antidoping using oxygen vacancies. The first-principles calculations show that the band gap systematically increases due to the strongly enhanced Bi-O breathing distortions away from the vacancies and the annihilation of Bi 6s/O 2p hybridized conduction bands near the vacancies. The spectroscopic experiments confirm the band gap increasing systematically with electron doping, with a maximal gap enhancement of ~75% when the film’s stoichiometry is reduced to BaBiO2.75. The Raman and diffraction experiments show the suppression of the overall breathing distortion. The study unambiguously demonstrates the remarkable antidoping effect in a material without strong electron correlations and underscores the importance of bond disproportionation in realizing such an effect.

Superconductivity in chromium nitrides Pr3Cr10-xN11 with strong electron correlations

Exploration of superconductivity in Cr-based compounds has attracted considerable interest because only a few Cr-based superconductors (CrAs, A2Cr3As3 and ACr3As3 (A = K, Rb, Cs, Na)) have been discovered so far and they show an unconventional pairing mechanism. We report the discovery of bulk superconductivity at 5.25 K in chromium nitride in Pr3Cr10-xN11 with a cubic lattice structure. A relatively large upper critical field of Hc2(0) ∼ 12.6 T is determined, which is larger than the estimated Pauli-paramagnetic pair-breaking magnetic field. The material has a large electronic specific-heat coefficient of 170 mJ K−2 mol−1—about 10 times larger than that estimated by the electronic structure calculation, which suggests that correlations between 3d electrons are very strong in Pr3Cr10-xN11, and thus quantum fluctuations might be involved. Electronic structure calculations show that the density of states at the Fermi energy are contributed predominantly by Cr 3d electrons, implying that the superconductivity results mainly from the condensation of Cr 3d electrons. Pr3Cr10-xN11 represents a rare example of possible unconventional superconductivity emerging in a 3D system with strong electron correlations. Nevertheless, clarification of the specific pairing symmetry needs more investigation.