Related papers: Geometric band properties in strained monolayer tr…
Recent experimental evidence for the quantum spin Hall (QSH) state in monolayer WTe$_2$ has bridged two of the most active fields of condensed matter physics, 2D materials and topological physics. This 2D topological crystal also displays…
We calculate from first principles the electronic structure and optical properties of a number of transition metal dichalcogenide (TMD) bilayer heterostructures consisting of MoS2 layers sandwiched with WS2, MoSe2, MoTe2, BN, or graphene…
The influence of an external electric field on single-layer transition-metal dichalcogenides TX2 with T = Mo, W and X = S, Se (MoWSeS) have been investigated by means of density-functional theory within two-dimensional periodic boundary…
Monolayers of transition-metal dichalcogenides have shown that uniaxial strain changes both the photoluminescence emission energy and intensity. The changes are attributed to the band-structure evolution under tensile strain where both the…
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…
Exploring the topological characteristics of electronic bands is essential in condensed matter physics. Moir\'e materials featuring flat bands provide a versatile platform for engineering band topology and correlation effects. In moir\'e…
Optical and electrical properties of two-dimensional transition metal dichalcogenides (TMDCs) grown by chemical vapor deposition (CVD) are strongly determined by their microstructure. Consequently, the visualization of spatial structural…
The emergence of transition metal dichalcogenides (TMDs) as 2D electronic materials has stimulated proposals of novel electronic and photonic devices based on TMD heterostructures. Here we report the determination of band offsets in TMD…
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 report the strong dependence of resistance on uniaxial strain in monolayer WSe2 at various temperatures, where the gauge factor can reach as large as 2400. The observation of strain-dependent resistance and giant gauge factor is…
Ultraflat bands have already been detected in twisted bilayer graphene and twisted bilayer transition-metal dichalcogenides, which provide a platform to investigate strong correlations. In this paper, the electronic properties of twisted…
The effect of strain in zigzag ribbons of monolayer transition-metal dichalcogenides with induced superconductivity is studied using a minimal 3-band tight-binding model. The unstrained system shows a topological phase with Majorana zero…
Twisted homobilayer transition metal dichalcogenide (TMD) offers a versatile platform for exploring band topology, interaction-driven phases, and magnetic orders. We study the interaction-driven phases in twisted TMD homobilayers and their…
In transition metal dichalcogenides (TMDCs), charge carriers have spin, pseudospin, and valley degrees of freedom associated with magnetic moments. The monolayers and bilayers of the TMDCs, in particular, MoS$_2$, lead strong couplings…
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…
The optical response of two-dimensional (2D) materials has been customarily calculated ab initio using plane waves and without separating the most important orbitals contributions. In the family of transition metal dichalcogenides (TMDC)…
We explore the direct to indirect band gap transitions in MX$_2$ (M= Mo/W, X= S/Se) transition metal dichalcogenides heterobilayers for different system compositions, strains, and twist angles based on first principles density functional…
Moir\'e superlattices in transition metal dichalcogenide (TMD) heterostructures can host novel correlated quantum phenomena due to the interplay of narrow moir\'e flat bands and strong, long-range Coulomb interactions1-5. However,…
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…
We characterize the electronic structure and elasticity of monolayer transition-metal dichalcogenides MX2 (M=Mo, W, Sn, Hf and X=S, Se, Te) with 2H and 1T structures using fully relativistic first principles calculations based on density…