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Two-dimensional (2D) transition metal dichalcogenide (TMD) van der Waals heterostructures (vdWHs) hold promise for high-performance electronics, but their large-scale synthesis remains limited by size constraints and alloying…
Heterostructures of layered transition metal dichalcogenides (TMDs) host long-lived, tunable excitons, making them intriguing candidates for material-based quantum information applications. Light absorption in these systems induces a…
Van der Waals heterostructures have recently emerged as an exciting platform for investigating the effects of strong electronic correlations, including various forms of magnetic or electrical orders. Here, we perform an unbiased exact…
The electronic and thermoelectric properties of one to four monolayers of MoS$_{2}$, MoSe$_{2}$, WS$_{2}$, and WSe$_{2}$ are calculated. For few layer thicknesses,the near degeneracies of the conduction band $K$ and $\Sigma$ valleys and the…
The thermal conductivities of MoS2 and WS2 have been reported by some experimental and theoretical studies, however, the results are different from each other. Here, thermal transport properties of twelve types of single layer transition…
The electronic and optical properties of monolayer transition-metal dichalcogenides (TMDs) and van der Waals heterostructures are strongly subject to their dielectric environment. In each layer the field lines of the Coulomb interaction are…
We apply a multiscale modeling approach to study lattice reconstruction in marginally twisted bilayers of transition metal dichalcogenides (TMD). For this, we develop DFT-parametrized interpolation formulae for interlayer adhesion energies…
Moir\'e systems provide a rich platform for studies of strong correlation physics. Recent experiments on hetero-bilayer transition metal dichalcogenide (TMD) Moir\'e systems are exciting in that they manifest a relatively simple model…
Progress in developing advanced photonic devices relies on introducing new materials, discovered physical principles, and optimal designs when constructing their components. Optical systems operating on the principles of excitation of…
Starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs), we construct a four-band Hamiltonian describing interlayer excitons consisting of an electron in one TMD layer and…
We report a first-principle theoretical study of a monolayer-thick lateral heterostructure (LH) joining two different transition metal dichalcogenides (TMDC): NbS2 and WSe2. The NbS2//WSe2 LH can be considered a prototypical example of a…
Tunnel field effect transistors (TFETs) based on vertical stacking of two dimensional materials are of interest for low-power logic devices. The monolayer transition metal dichalcogenides (TMDs) with sizable band gaps show promise in…
We present theoretical results for the radiative rates and doping-dependent photoluminescence spectrum of interlayer excitonic complexes localized by donor impurities in MoSe$_2$/WSe$_2$ twisted heterobilayers, supported by quantum Monte…
We introduce an anisotropic mean-field approach for the dynamics of semiflexible polymers under intermediate tension, the force range where a chain is partially extended but not in the asymptotic regime of a nearly straight contour. The…
Twist between neighboring layers and variation of interlayer distance are two extra ways to control the physical properties of stacked two-dimensional van der Waals materials without alteration of chemical compositions or application of…
Photoexcited intralayer excitons in van der Waals heterostructures (vdWHs) with type-II band alignment have been observed to tunnel into interlayer excitons on ultrafast timescales. Such interlayer excitons have sufficiently long lifetimes…
Moir\'e superlattices of van der Waals heterostructures provide a powerful new way to engineer the electronic structures of two-dimensional (2D) materials. Many novel quantum phenomena have emerged in different moir\'e heterostructures,…
Coherent coupling between excitons is at the heart of many-body interactions with transition metal dichalcogenide (TMD) heterostructures as an emergent platform for the investigation of these interactions. We employ multi-dimensional…
We study anisotropies of helicity modulus, excitation spectrum, sound velocity and angle-resolved luminescence spectrum in a two-dimensional system of interacting excitons in a periodic potential. Analytical expressions for anisotropic…
Recent techniques have allowed transition metal dichalcogenides (TMD) monolayers to be grown and adequately characterised. Of particular interest, their nonlinear optical response presents many promising opportunities for future…