Related papers: Band gap engineering of PtSe2

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,…

Knowing the electronic structure of a material is essential in energy applications to rationalize its performance and propose alternatives. Materials for thermoelectric applications are generally small-gap semiconductors and should have a…

Twist-engineering of the electronic structure of van-der-Waals layered materials relies predominantly on band hybridization between layers. Band-edge states in transition-metal-dichalcogenide semiconductors are localized around the metal…

Weyl semimetals, such as $TaIrTe_{4}$, characterized by their unique band structures and exotic transport phenomena, have become a central focus in modern electronics. Despite extensive research, a systematic understanding of the impact of…

We directly measure the electronic structure of twisted graphene/MoS2 van der Waals heterostructures, in which both graphene and MoS2 are monolayers. We use cathode lens microscopy and microprobe angle-resolved photoemission spectroscopy…

The electronic structure of semiconducting 2D materials such as transition metal dichalcogenides (TMDs) is known to be tunable by its environment, from simple external fields applied with electrical contacts up to complex van der Waals…

Beta-BaZn2As2 is known to be a p-type semiconductor with the layered crystal structure similar to that of LaZnAsO, leading to the expectation that beta-BaZn2As2 and LaZnAsO have similar bandgaps; however, the bandgap of beta-BaZn2As2…

The hunt for high temperature superfluidity has received new impetus from the discovery of atomically thin stable materials. Electron-hole superfluidity in coupled MoSe2-WSe2 monolayers is investigated using a mean-field multiband model…

We investigate the evolutions of structural parameters, optical properties, and electronic structures of van der Waals kagome semiconductor Pd3P2S8 with Se doping. When the doping level of Se increases, the bandgaps of Pd3P2(S1-xSex)8…

Lattice distortion due to octahedral rotation and distortion are high focussed, and it produces profound effect on a material's properties, such as its bandgap, magnetism and optical properties etc. Rutile-type \b{eta}-MnO2 is a wide used…

We report a fully {\it ab-initio} calculation of the temperature dependence of the electronic band structure of PbTe. We address two main features relevant for the thermoelectric figure of merit: the temperature variations of the direct gap…

It was generally assumed that weak van der Waals interactions exist between neighboring layers in the two-dimensional group-IV chalcogenides. Using PbSe as a prototypal example, however, we find additional strong coupling between the Pb-Pb…

Due to their great potential in electronics, optoelectronics and piezoelectronics, Janus transition metal dichalcogenide (TMD) monolayers have attracted increasing research interest, the MoSSe of which with sandwiched S-Mo-Se structure has…

Van der Waals materials exhibit naturally passivated surfaces and can form versatile heterostructures, enabling observation of carrier transport mechanisms not seen in three-dimensional materials. Here we report observation of a "band…

Two-dimensional materials (2D) arranged in hybrid van der Waals (vdW) heterostructures provide a route toward the assembly of 2D and conventional III-V semiconductors. Here, we report the structural and electronic properties of single layer…

The weak van der Waals interlayer interactions in the transition metal dichalcogenide (TMD) materials have created a rich platform to study their exotic electronic properties through chemical doping or physical gating techniques. We…

Although van der Waals (vdW) layered MoS2 shows the phase transformation from the semiconducting 2H-phase to the metallic 1T-phase through chemical lithium intercalation, vdW MoTe2 is thermodynamically reversible between the 2H- and…

The structural and elastic properties of orthorhombic black phosphorus have been investigated using first-principles calculations based on density functional theory. The structural parameters have been calculated using the local density…

Before assessing the suitability of a semiconductor for specific applications, the first question to ask is whether it possesses a direct or indirect band gap. This distinction is fundamental, as the operation of devices such as…

Layered 2D van der Waals materials, such as transition metal dichalcogenides, are promising for nanoscale spintronic and optoelectronic applications. Harnessing their full potential requires understanding both intrinsic transport and the…