Related papers: Generic continuum model formalism for moir\'e supe…
Soft materials play an integral part in many aspects of modern life including autonomy, sustainability, and human health, and their accurate modeling is critical to understand their unique properties and functions. Today's finite element…
Heterostructures of transition metal dichalcogenides (TMDs) offer unique opportunities in optoelectronics due to their strong light-matter interaction and the formation of dipolar interlayer excitons. Introducing a twist angle or lattice…
In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting…
As a novel platform for exploring exotic quantum phenomena, the moir\'e lattice has garnered significant interest in solid-state physics, photonics, and cold atom physics. While moir\'e lattices in two- and three-dimensional systems have…
Stacking monolayers of transition metal dichalcogenides into a heterostructure with a finite twist-angle gives rise to artificial moir\'e superlattices with a tunable periodicity. As a consequence, excitons experience a periodic potential,…
Quantum materials and phenomena have attracted great interest for their potential applications in next-generation microelectronics and quantum-information technologies. In one especially interesting class of quantum materials, moire…
This article summarizes recent work on the many-body (beyond density functional theory) electronic structure of layered rare-earth nickelates, both in the context of the materials themselves and in comparison to the high-temperature…
Moir\'e superlattices serve as a playground for emerging phenomena, such as localization of band states, superconductivity, and localization of excitons. These superlattices are large and are often modeled in the zero angle limit, which…
We present a comprehensive first-principles study of twisted bilayer graphene (tBLG) for a wide range of twist angles, with a focus on structural and electronic properties. By employing density functional theory (DFT) with an optimized…
A finite-deformation crystal-elasticity membrane model for Transition Metal Dichalcogenide (TMD) monolayers is presented. Monolayer TMDs are multi-atom-thick two-dimensional (2D) crystalline membranes having atoms arranged in three parallel…
The long wavelength moir\'e superlattices in twisted 2D structures have emerged as a highly tunable platform for strongly correlated electron physics. We study the moir\'e bands in twisted transition metal dichalcogenide homobilayers,…
Moir\'e materials provide a highly tunable environment for the realization of band structures with engineered physical properties. Specifically, moir\'e structures with Fermi surface flat bands - a synthetic environment for the realization…
The ability to control the properties of twisted bilayer transition metal dichalcogenides in situ makes them an ideal platform for investigating the interplay of strong correlations and geometric frustration. Of particular interest are the…
Mechanical relaxation in moir\'e materials is often modeled by a continuum model where linear elasticity is coupled to a stacking penalty known as the Generalized Stacking Fault Energy (GSFE). We review and compute minimizers of a…
We study the effect of atomic relaxation on the structure of moir\'e patterns in twisted graphene on graphite and double layer graphene by large scale atomistic simulations. The reconstructed structure can be described as a superlattice of…
The paper contains a development of the previously proposed generalized lattice model (GLM). In contrast to usual lattice models, the difference of the specific atomic volumes of the components is taken in account in GLM. In addition to…
Finding new collective electronic states in materials is one of the fundamental goals of condensed matter physics. Atomic-scale superlattices formed from transition metal oxides are a particularly appealing hunting ground for new physics.…
It is well known that the classical energetically consistent micropolar model has limits in simulating the frequency band structure of packed granular materials (see Merkel et al., 2011). It is here shown that if a standard continualization…
Strongly interacting electrons in layered materials give rise to a plethora of emergent phenomena, such as unconventional superconductivity. heavy fermions, and spin textures with non-trivial topology. Similar effects can also be observed…
Low-energy moir\'e flat bands in magic-angle twisted bilayer graphene (tBG) have demonstrated incredible potentials to exhibit rich exotic quantum phenomena. Theoretically, the moir\'e flat bands of tBG are based on the extended structures,…