Related papers: k.p theory for two-dimensional transition metal di…
We developed a six-band $k \cdot p$ model that describes the electronic states of monolayer transition metal dichalcogenides (TMDCs) in $K$-valleys. The set of parameters for the $k \cdot p$ model is uniquely determined by decomposing…
We present a density functional theory parametrized hybrid k$\cdot$p tight binding model for electronic properties of atomically thin films of transition-metal dichalcogenides, 2H-$MX_2$ ($M$=Mo, W; $X$=S, Se). We use this model to analyze…
The topological properties of Bloch bands are intimately tied to the structure of their electronic wavefunctions within the unit cell of a crystal. Here, we show that scanning tunneling microscopy (STM) measurements on the prototypical…
The direct bandgap found in hexagonal germanium and some of its alloys with silicon allows for an optically active material within the group-IV semiconductor family with various potential technological applications. However, there remain…
We present a comprehensive first-principles study of the electronic structure of 51 semiconducting monolayer transition metal dichalcogenides and -oxides in the 2H and 1T hexagonal phases. The quasiparticle (QP) band structures with…
We present an accurate \textit{ab-initio} tight-binding hamiltonian for the transition-metal dichalcogenides, MoS$_2$, MoSe$_2$, WS$_2$, WSe$_2$, with a minimal basis (the \textit{d} orbitals for the metal atoms and \textit{p} orbitals for…
We use a combined ab-initio calculations and k.p theory based approach to derive a low-energy effective Hamiltonian for monolayer MoS2 at the K point of the Brillouin zone. It captures the features which are present in first-principles…
Two-dimensional semiconductors, known as Transition Metal Dichalcogenides (TMDCs), are of great interest among many materials due to their unique 2D characteristics, including exceptional electronic and optical properties. These compounds…
Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy…
Transition metal dichalcogenide semiconductors represent elementary components of layered heterostructures for emergent technologies beyond conventional opto-electronics. In their monolayer form they host electrons with quantized circular…
We have studied the optical conductivity of two-dimensional (2D) semiconducting transition metal dichalcogenides (STMDC) using ab-initio density functional theory (DFT). We find that this class of materials presents large optical response…
In this minireview, we explore the main features and the prospect of plasmonics with two-dimensional semiconductors. Plasmonic modes in each class of van der Waals semiconductors have their own peculiarities, along with potential…
Strain engineering has emerged as a powerful tool to modify the optical and electronic properties of two-dimensional crystals. Here we perform a systematic study of strained semiconducting transition metal dichalcogenides. The effect of…
We propose twisted bilayers of certain group IV and IVB trigonal transition metal dichalcogenides (TMDs) MX$_{2}$ (M$=$Zr, Hf, Sn and X$=$S, Se) as moir\'{e} materials. In monolayer form these TMDs have conduction band minima near the three…
Assessing atomic defect states and their ramifications on the electronic properties of two dimensional van der Waals semiconducting transition metal dichalcogenides (SC TMDs) is the primary task to expedite multi disciplinary efforts in the…
Moir\'e engineering in two-dimensional van der Waals bilayer crystals has emerged as a flexible platform for controlling strongly correlated electron systems. The competition between valleys for the band extremum energy position in the…
We report on a theoretical study of the electronic structures of freestanding nanowires made from narrow band gap semiconductors GaSb, InSb and InAs. The nanowires are described by the eight-band k.p Hamiltonians and the band structures are…
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.…
One-dimensional grain boundaries of two-dimensional semiconducting {\MX} (M= Mo,W; X=S,Se) transition metal di-chalcogenides are typically metallic at room temperature. The metallicity has its origin in the lattice polarization, which for…
We study the electronic band structure in the K/K' valleys of the Brillouin zone of monolayer WSe2 and MoSe2 by optical reflection and photoluminescence spectroscopy on dual-gated field-effect devices. Our experiment reveals the distinct…