Related papers: Dynamic Moir\'e Potentials and Robust Wigner Cryst…
The integration of density functional theory (DFT) with machine learning enables efficient \textit{ab initio} electronic structure calculations for ultra-large systems. In this work, we develop a transfer learning framework tailored for…
The rational tailoring of transition metal complexes is necessary to address outstanding challenges in energy utilization and storage. Heterobimetallic transition metal complexes that exhibit metal-metal bonding in stacked "double decker"…
Moir\'e superlattices have emerged as a new platform for studying strongly correlated quantum phenomena, but these systems have been largely limited to van der Waals layer two-dimensional (2D) materials. Here we introduce moir\'e…
Due to the forming of low-energy flat bands, the moir\'e superlattices of the transition metal dichalcogenides are fascinating platforms for studying novel correlated states when such flat bands are fractionally filled, with the Coulomb…
Moir\'e superlattices of transition-metal dichalcogenide bilayers host strong Coulomb interactions residing in narrow electron bands, leading to correlated insulating states at fractional carrier doping densities, known as generalized…
Large-scale moir\'e systems are extraordinarily sensitive, with even minute atomic shifts leading to significant changes in electronic structures. Here, we investigate the lattice relaxation effect on moir\'e band structures in twisted…
In stacks of two-dimensional crystals, mismatch of their lattice constants and misalignment of crystallographic axes lead to formation of moir\'{e} patterns. We show that moir\'{e} superlattice effects persist in twisted bilayer graphene…
Predicting solid-solid phase transitions remains a long-standing challenge in materials science. Solid-solid transformations underpin a wide range of functional properties critical to energy conversion, information storage, and thermal…
Small-twist-angle transition metal dichalcogenide (TMD) heterobilayers develop isolated flat moir\'e bands that are approximately described by triangular lattice generalized Hubbard models [PhysRevLett.121.026402]. In this article we…
Geometrical moir\'e patterns, generic for almost aligned bilayers of two-dimensional (2D) crystals with similar lattice structure but slightly different lattice constants, lead to zone folding and miniband formation for electronic states.…
Moir\'e superlattices in the twisted bilayer graphene provide an unprecedented platform to investigate a wide range of exotic quantum phenomena. Recently, the twist degree of freedom has been introduced into various classical wave systems,…
Flexible long period moir\' e superlattices form in two-dimensional van der Waals crystals containing layers that differ slightly in lattice constant or orientation. In this Letter we show theoretically that isolated flat moir\' e bands…
Moir\'e related physics in twisted bilayer two-dimensional (2D) materials has attracted widespread interest in condensed matter physics. Simulation of moir\'e related physics in cold atom platform is expected to outperform the 2D materials…
Twisted bilayers of two-dimensional (2D) materials are proving a fertile ground for investigating strongly correlated electron phases. This is because the moir\'e pattern introduced by the relative twist between layers introduces…
Moir\'e superlattices formed by transition metal dichalcogenide (TMD) heterobilayers provide a versatile platform for studying strongly correlated electronic, excitonic, and topological phenomena in solids. In particular, angle-aligned…
A real-space method using generating integers is used to classify the possible moire patterns for two equal hexagonal lattices. The result is that the rotations that take (n,m) to (m,n) with n,m relatively prime form the fundamental moire…
Moir\'e superlattices in twisted bilayers enable profound reconstructions of the electronic bandstructure, giving rise to correlated states with remarkable tunability. Extending this paradigm to van der Waals magnets, twisting creates…
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…
In the quasi-2D electron systems of the layered transition metal dichalcogenides (TMD) there is still a controversy about the nature of the transitions to charge-density wave (CDW) phases, i.e. whether they are described by a Peierls-type…
Twisted vdW quantum materials have emerged as a rapidly developing field of 2D semiconductors. These materials establish a new central research area and provide a promising platform for studying quantum phenomena and investigating the…