Related papers: Edge states in dichalcogenide nanoribbons and tria…
We study the electronic structure of monolayer MoS$_2$ quantum dots subject to a perpendicular magnetic field. The coupling between conduction and valence band gives rise to mid-gap topological states which localize near the dot edge. These…
We explore the electronic structure, orbital character and topological aspect of a monolayer MoS$_2$ nanoribbon using tight-binding (TB) and low-energy (${\bm k}\cdot{\bm p} $) models. We obtain a mid-gap edge mode in the zigzag ribbon of…
We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…
We derive the boundary conditions for MoS$_2$ and similar transition-metal dichalcogenide honeycomb (2H polytype) monolayers with the same type of $\mathbf{k}\!\cdot\!\mathbf{p}$ Hamiltonian within the continuum model around the K points.…
Molybdenum disulfide nanoribbons with zigzag edges show ferromagnetic and metallic properties based on previous \emph{ab-initio} calculations. The investigation of the role of disorder on the magnetic properties is, however, still lacking…
Single layers of transition metal dichalcogenides such as MoS$_2$ are direct bandgap semiconductors with optical and electronic properties distinct from multilayers due to strong vertical confinement. Despite the fundamental monolayer limit…
Using ab initio calculations we predict the existence of one-dimensional (1D), atomically confined plasmons at the edges of a zigzag MoS2 nanoribbon. The strongest plasmon originates from a metallic edge state localized on the sulfur dimers…
Mechanical deformations, either spontaneously occurring during sample preparation or purposely induced in their nanoscale manipulation, drastically affect the electronic and optical properties of transition metal dichalcogenide monolayers.…
We derive a model of localized edge states in the finite width strip for two-dimensional electron gas formed in the hybrid system of bismuth monolayer deposited on the silicon interface and described by the nearly-free electron model with…
We discuss here the effect of band nesting and topology on the spectrum of excitons in a single layer of MoS$_2$, a prototype transition metal dichalcogenide material. We solve for the single particle states using the ab initio based…
We propose an accurate tight-binding parametrization for the band structure of MoS$_2$ monolayers near the main energy gap. We introduce a generic and straightforward derivation for the band energies equations that could be employed for…
In the purpose of expanding the family of two-dimensional materials, we predict the existence of two-dimensional octa-structure of nitrogen group elements that are composed of squares and octagons in first-principle method based on density…
The high-order harmonic generation in finite topological nanoribbons is investigated using a tight-binding description. The ribbons consist of hexagons and are almost one-dimensional. Two edge states emerge at the short edges of the ribbon…
We study twisted bilayer WSe$_2$ within a continuum moir\'e model and introduce a method for treating finite geometries directly in the continuum framework, overcoming limitations associated with momentum-space formulations and Wannier…
Using the tight-binding approach, we investigate the energy spectrum of square, triangular and hexagonal MoS$_2$ quantum dots (QDs) in the presence of a perpendicular magnetic field. Novel edge states emerge in MoS$_2$ QDs, which are…
We show that edge states similar to those known for topological insulators exist in two-dimensional electron system with one-band spectrum in the presence of heterogeneous spin-orbit interaction (SOI). These states appear at boundaries…
The large tunability of band gaps and optical absorptions of armchair MoS$_2$ nanoribbons of different widths under bending is studied using density functional theory and many-body perturbation GW and Bethe-Salpeter equation approaches. We…
Strain-engineered transition-metal dichalcogenide nanobubbles are promising platforms for quantum emission, as revealed by recent experimental observations. In this work, we present an \textit{ab initio} investigation of MoS$_2$, WS$_2$,…
We derive a low-energy theory for edge states in transition metal dichalcogenide monolayers for a two-band $\bm{kp}$-Hamiltonian in case of uncoupled valleys. In the absence of spin-orbit interaction at the edge, these states possess a…
Nanoribbons of MoS$_2$ present a unique electronic structure that consists of a semiconducting bulk bounded by metallic edges; same holds for other Transition-Metal Dichalcogenides (TMDs) (Mo-,W-,S$_{2}$,Se$_{2}$). We perform…