Related papers: Anisotropic Interlayer Force Field for Group-VI Tr…
Using diffusion Monte Carlo (DMC) and density functional theory (DFT) calculations, we examined the structural stability and interlayer binding properties of PtSe$_2$, a representative transition metal dichalcogenide (TMD) with strong…
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…
Long-lived interlayer excitons with distinct spin-valley physics in van der Waals heterostructures based on transition metal dichalcogenides make them promising for information processing in next-generation devices. While the emission…
Using an equation of motion (EOM) approach, we calculate excitonic properties of monolayer transition metal dichalcogenides (TMDs) perturbed by an external magnetic field. We compare our findings to the widely used Wannier model for…
Two-dimensional materials, including transition metal dichalcogenides, are attractive for a variety of applications in electronics as well as photonics and have recently been envisioned as an appealing platform for phonon polaritonics.…
Bandstructure engineering using alloying is widely utilised for achieving optimised performance in modern semiconductor devices. While alloying has been studied in monolayer transition metal dichalcogenides, its application in van der Waals…
Understanding the stress transfer mechanisms from a polymer matrix to two-dimensional reinforcements is essential for the preparation of high performance nanocomposites. In this study, the interfacial stress transfer from a flexible polymer…
Monolayer transition metal dichalcogenides $MX_2$ ($M$ = Mo,W and $X$ = Te, Se, S) in 1T' structure were predicted to be quantum spin Hall insulators based on first-principles calculations, which were quickly confirmed by multiple…
The valence flat bands in transition metal dichalcogenide (TMD) heterobilayers are shown to exhibit strong intralayer spin-orbit coupling. This is reflected in a simple tight-binding model with spin-dependent complex hoppings based on the…
Recent experiments in twisted bilayer transition-metal dichalcogenides have revealed a variety of strongly correlated phenomena. To theoretically explore their origin, we combine here ab initio calculations with correlated model approaches…
We investigate the design of steep-slope metal-oxide-semiconductor field-effect transistors (MOSFETs) exploiting monolayers of transition metal dihalides as channel materials. With respect to other previously proposed steep-slope…
Semiconductor heterostructures are fundamental building blocks for many important device applications. The emergence of two-dimensional semiconductors opens up a new realm for creating heterostructures. As the bandgaps of transition metal…
The understanding of various types of disorders in atomically thin transition metal dichalcogenides (TMDs), including dangling bonds at the edges, chalcogen deficiencies in the bulk, and charges in the substrate, is of fundamental…
The bilayer heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics.…
The ability to control magnetic interactions at the nanoscale is crucial for the development of next-generation spintronic devices and functional magnetic materials. In this work, we investigate theoretically, by means of many-body…
We investigated the interlayer coupling effect in homobilayer structures of MSi2X4 with M = Mo/W and X = N/P/As. Through the combination of first-principles calculations and analytical formulations, the equilibrium interlayer distance,…
Ternary compounds of Transition Metal Dichalcogenides are emerging as an interesting class of crystals with tunable electronic properties, which make them attractive for nano-electronic and optoelectronic applications. Among them,…
Low-temperature plasma processing is a promising technique for tailoring transition metal dichalcogenides (TMDs). For chalcogen substitution processing, a key challenge is to identify the ion energy window that enables selective chalcogen…
We develop a microscopic theory for excitons and cavity exciton polaritons in transition metal dichalcogenide (TMD) monolayers under a perpendicular static magnetic field. We obtain numerically exact solutions for the ground and excited…
Interlayer misorientation in transition metal dichalcogenides alters the interlayer distance, the electronic band structure, and the vibrational modes, but, its effect on the interlayer resistance is not known. This work analyzes the…