相关论文: Tunable Electronic Structure in Gallium Chalcogeni…
Layered quasi-two-dimensional transition metal dichalcogenides (TMDCs), which can be readily made in ultrathin films, offer excellent opportunities for studying how dimensionality affects electronic structure and physical properties. Among…
Bulk MoS2, a prototypical layered transition-metal dichalcogenide, is an indirect band gap semiconductor. Reducing its size to a monolayer, MoS2 undergoes a transition to the direct band semiconductor. We support this experimental…
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$_2$,…
Transition metal dichalcogenide homobilayers unite two frontiers of quantum materials research: sliding ferroelectricity, arising from rhombohedral (R) stacking, and moir\'e quantum matter, emerging from small-angle twisting. The…
Tuning the electronic structures of two-dimensional (2D) material-based heterostructures is of crucial importance for their use in functional next-generation electronics. Here, through angle-resolved photoemission spectroscopy with…
While boron nitride (BN) substrates have been utilized to achieve high electronic mobilities in graphene field effect transistors, it is unclear how other layered two dimensional (2D) crystals influence the electronic performance of…
Fabricating van der Waals (vdW) bilayer heterostructures (BL-HS) by stacking the same or different two-dimensional (2D) layers, offers a unique physical system with rich electronic and optical properties. Twist-angle between component…
The effects of strain and hydrogenation on the electronic and magnetic properties of monolayers of Ta based dichalcogenides (TaX2; X = S, Se, Te) are investigated using density-functional theo-ry. We predict a complex scenario of…
In light of the rise of transition metal dichalcogenides as 2D semiconductors for device applications, band engineering becomes very important from an application point of view. In many of these materials, such as the canonical example of…
Layered transition metal dichalcogenides display a wide range of attractive physical and chemical properties and are potentially important for various device applications. Here we report the electronic transport and device properties of…
We report ab initio calculations of the electronic band structure and the phonon dispersion relations of the zincblende-type mercury chalcogenides (beta-HgS, HgSe, and HgTe). The latter have been used to evaluate the temperature dependence…
Monolayers of transition metal dichalcogenides are semiconducting materials which offer many prospects in optoelectronics. A monolayer of molybdenum disulfide (MoS2) has a direct bandgap of 1.88 eV. Hence, when excited with optical photon…
Quantum conductance calculations on the mechanically deformed monolayers of MoS$_2$ and WS$_2$ were performed using the non-equlibrium Green's functions method combined with the Landauer-B\"{u}ttiker approach for ballistic transport…
Twisted graphene multilayers have demonstrated to yield a versatile playground to engineer controllable electronic states. Here, by combining first-principles calculations and low-energy models, we demonstrate that twisted graphene…
By combining {\it ab initio} calculations and experiments we demonstrate how the band gap of the transition metal tri-chalcogenide TiS$_3$ can be modified by inducing tensile or compressive strain. We show by numerical calculations that the…
Two-dimensional (2D) materials with puckered layer morphology are promising candidates for next-generation opto-electronics devices owing to their anisotropic response to external perturbations and wide band gap tunability with the number…
The electronic properties of van der Waals (vdW) structures can be substantially modified by the moire superlattice potential, which strongly depends on the twist angle among the compounds. In twisted bilayer graphene (TBG), two low-energy…
We present in-depth measurements of the electronic band structure of the transition-metal dichalcogenides (TMDs) MoS2 and WS2 using angle-resolved photoemission spectroscopy, with focus on the energy splittings in their valence bands at the…
The transition metal chalcogenide Ta$_2$NiSe$_5$ undergoes a second-order phase transition at $T_c=328$ K involving a small lattice distortion. Below $T_c$, a band gap at the center of its Brillouin zone increases up to about 0.35 eV. In…
Twistronic assembly of 2D materials employs the twist angle between adjacent layers as a tuning parameter for designing the electronic and optical properties of van der Waals heterostructures. Here, we study how interlayer hybridization,…