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Moire superlattices in twisted transition metal dichalcogenide bilayers have emerged as a rich platform for exploring strong correlations using optical spectroscopy. Despite observation of rich Mott-Wigner physics stemming from an interplay…
When exploring new materials for their potential in (opto)electronic device applications, it is important to understand the role of various carrier interaction and scattering processes. Research on transition metal dichalcogenide (TMD)…
Moir\'e materials, with superlattice periodicity many times the atomic length scale, have enabled the studies of strong electronic correlations and band topology with unprecedented tunability. However, nonvolatile control of the moir\'e…
Doping via electrostatic gating is a powerful and widely used technique to tune the electron densities in layered materials. The microscopic details of how these setups affect the layered material are, however, subtle and call for careful…
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…
Twisted bilayer transition metal dichalcogenides have emerged as important model systems for the investigation of correlated electron physics because their interaction strength, carrier concentration, band structure, and inversion symmetry…
The creation of moir\'e superlattices in twisted bilayers of two-dimensional crystals has been utilised to engineer quantum material properties in graphene and transition metal dichalcogenide (TMD) semiconductors. Here, we examine the…
Using first-principles calculations we show that the band gap of bilayer sheets of semiconducting transition metal dichalcogenides (TMDs) can be reduced smoothly by applying vertical compressive pressure. These materials undergo a universal…
The Fe intercalated transition metal dichalcogenide (TMD), Fe$_{1/3}$NbS$_2$, exhibits remarkable resistance switching properties and highly tunable spin ordering phases due to magnetic defects. We conduct synchrotron X-ray scattering…
A mismatch of atomic registries between single-layer transition metal dichalcogenides (TMDs) in a two dimensional van der Waals heterostructure produces a moir\'e superlattice with a periodic potential, which can be fine-tuned by…
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.…
The crystal structure of a material creates a periodic potential that electrons move through giving rise to the electronic band structure of the material. When two-dimensional materials are stacked, the twist angle between the layers…
We develop parameters for the interlayer Kolmogorov-Crespi (KC) potential to study structural features of four transition metal dichalcogenides (TMDs): MoS$_2$, WS$_2$, MoSe$_2$ and WSe$_2$. We also propose a mixing rule to extend the…
We study the formation of ferromagnetic and magnetic polaron states in weakly doped heterobilayer transition metal dichalcogenides in the ``heavy fermion'' limit in which one layer hosts a dense set of local moments and the other hosts a…
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…
Motivated by the recent excitement around the physics of twisted transition metal dichalcogenide (TMD) multilayer systems, we study strongly correlated phases of TMD heterobilayers under the influence of light. We consider both waveguide…
In the last few years, interest in monomolecular layers of transition metal dichalcogenides (TMDs) has been driven by their unusual electronic and optical properties, which are very attractive for designing functional elements of new…
We study the effect of inter-electron Coulomb interactions on the displacement field induced topological phase transition in transition metal dichalcogenide (TMD) moir\'e heterobilayers. We find a nematic excitonic insulator (NEI) phase…
Two-dimensional moir\'e materials offer a powerful, twist-tunable platform for engineering electronic bands and correlations, though most studies to date have focused on small twist angles where flat bands arise from symmetry-pinned…