Related papers: Dynamic Moir\'e Potentials and Robust Wigner Cryst…
A major theoretical challenge of studying twisted transition metal dichalcogenide (TMD) bilayers is that the unit cell of such structures is very large and therefore difficult to address using first-principles methods. However, twisted TMD…
This work presents a first-principles study of the optoelectronic properties of vertically-stacked bilayer heterostructures composed of 2D transition-metal dichalcogenides (TMDs). The calculations are performed using the density-functional…
Moir\'e superlattices can induce correlated-electronic phases in twisted van-der-Waals materials. Strongly correlated quantum phenomena emerge, such as superconductivity and the Mott-insulating state. However, moir\'e superlattices produced…
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,…
Moir\'e engineering in layered crystals has recently gained considerable attention due to the discovery of various structural and physical phenomena, including interfacial reconstruction, superconductivity, magnetism, and distinctive…
The quantum spin Hall effect has been predicted in twisted homobilayer transition metal dichalcogenides (TMDs) owing to the layer-pseudospin magnetic field. Recently, experimental observations have also confirmed such topological states of…
Monolayer transition metal dichalcogenides (TMDs) are characterized by relatively large carrier effective masses and suppressed screening of the Coulomb interaction, which substantially enhances the correlation effects in these structures.…
Twisted van der Waals heterostructures have recently been proposed as a condensed-matter platform for realizing controllable quantum models due to the low-energy moir\'e bands with specific charge distributions in moir\'e superlattices.…
Wigner crystals are typically confined to ultralow temperatures where thermal motion is frozen out. Moir\'e superlattices in twisted two-dimensional materials have extended their stability to higher temperatures and densities, but rely on…
The moir\'e pattern observed in stacked non-commensurate crystal lattices, such as hetero-bilayers of transition metal dichalcogenides, produces a periodic modulation of their bandgap. Excitons subjected to this potential landscape exhibit…
Moir\'e superlattices in twisted van der Waals materials constitute a promising platform for engineering electronic and optical properties. However, a major obstacle to fully understanding these systems and harnessing their potential is the…
We carried out fully-atomistic reactive molecular dynamics simulations to study the elastic properties and fracture patterns of transition metal dichalcogenide (TMD) MoX2 (X=S, Se, Te) membranes, in their 2H and 1T phases, within the…
Two-dimensional (2D) moire systems based on twisted bilayer graphene and transition metal dichalcogenides provide a promising platform to investigate emergent phenomena driven by strong electron-electron interactions in partially-filled…
The observation of flat energy bands in transition metal dichalcogenide bilayers such as twisted WSe${}_2$ makes those materials interesting prospects for reproducing the behavior observed in graphene-based systems. We use an effective…
A large number of novel two-dimensional (2D) materials are constantly discovered and deposed into the databases. Consolidate implementation of machine learning algorithms and density functional theory (DFT) based predictions have allowed…
Transition metal dichalcogenides (TMDs) are a class of widely studied 2D layered materials which exist in various polymorphs. The 1T' phase of MoTe2 is of prime importance as it has been reported to show quantum spin hall (QSH) behavior…
Moir\'e superlattice in two-dimensional (2D) materials provides a powerful platform to engineer emergent electronic states, yet the construction of moir\'e superlattices remains lab-scale, involving much trial and error and with little…
We develop a microscopic theory for nonlinear optical response of moir\'e exciton-polaritons in bilayers of transition metal dichalcogenides (TMDs). Our theory allows to study the tunnel-coupled intralayer and interlayer excitonic modes for…
The relaxation of atomic positions to their optimal structural arrangement is crucial for understanding the emergence of new physical behavior in long scale superstructures in twisted bilayers of two-dimensional materials. The amount of…
Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…