相关论文: Mechanically tunable spontaneous vertical charge r…
We have performed Density Functional Theory (DFT) based calculations to investigate the effects of stacking patterns on the electronic and magnetic properties of several Nitride MXenes. MXenes, a relatively new addition to the family of…
Coulomb interactions among electrons and holes in two-dimensional (2D) semimetals with overlapping valence and conduction bands can give rise to a correlated insulating ground state via exciton formation and condensation. One candidate…
Monolayers of transition metal dichalcogenides (TMDs) have a remarkable excitonic landscape with deeply bound bright and dark exciton states. Their properties are strongly affected by lattice distortions that can be created in a controlled…
The advent of two-dimensional (2D) crystals has led to numerous scientific breakthroughs. Conventional 2D systems have in-plane covalent bonds and a weak out-of-plane van-der-Waals bond. Here we report a new type of 2D material composed of…
Interfacial ferroelectricity emerges in heterostructures consisting of nonpolar van der Waals (vdW) layers, greatly expanding the scope of two dimensional ferroelectrics. In particular, the unconventional moire ferroelectricity observed in…
While transition metal dichalcogenide (TMD) based moire materials have been shown to host various correlated electronic phenomena, topological states have not been experimentally observed until now. In this work, using first principles…
Charge density wave (CDW) states in solids bear an intimate connection to underlying fermiology. Modification of the latter by a suitable perturbation provides an attractive handle to unearth novel CDW states. Here, we combine extensive…
We report an unconventional quantum spin Hall phase in the monolayer T$_\text{d}$-WTe$_2$, which exhibits hitherto unknown features in other topological materials. The low-symmetry of the structure induces a canted spin texture in the $yz$…
The field of two-dimensional (2D) materials has expanded to multilayered systems where electronic, optical, and mechanical properties change-often dramatically-with stacking order, thickness, twist, and interlayer spacing [1-5]. For…
We investigate ferroelectric polariation as well as the formation of long-range order and the carrier density distribution in type-II Weyl semimetal WTe$_{2}$ in $T_{d}$ phase. It is been found that the metallicity and ferroelectricity can…
Van der Waals layered materials, such as transition metal dichalcogenides (TMDs), are an exciting class of materials with weak interlayer bonding which enables one to create van der Waals heterostructures (vdWH). Recent work has shown that…
Halogen intercalation into the layered material tungsten ditelluride (WTe2) provides a unique pathway to tune its structural and electronic properties. In this study, we detail the synthesis and characterization of the new…
We introduce the notion of a band-inverted, topological semimetal in two-dimensional nonsymmorphic crystals. This notion is materialized in the monolayers of MTe$_2$ (M $=$ W, Mo) if spin-orbit coupling is neglected. We characterize the…
The capability to isolate one to few unit-cell thin layers from the bulk matrix of layered compounds opens fascinating prospects to engineer novel electronic phases. However, a comprehensive study of the thickness dependence and of…
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…
Transition-metal dichalcogenides (TMDs) are valuable as solid lubricants because of their layered structure, which allows for easy shearing along the basal planes. Using Density Functional Theory (DFT) we conducted a first-principles study…
Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) can withstand a large deformation without fracture or inelastic relaxation, making them attractive for application in novel strain-engineered and flexible…
The recently synthesized ternary quasi-2D material TaRhTe$_4$ is a bulk Weyl semimetal with an intrinsically layered structure, which poses the question how the topology of its electronic structure depends on layers separations.…
When the atomic layers in a non-centrosymmetric van der Waals structure slide against each other, the interfacial charge transfer results in a reversal of the structures spontaneous polarization. This phenomenon is known as sliding…
In recent years, layered transition-metal dichalcogenides (TMDs) have attracted considerable attention because of their rich physics; for example, these materials exhibit superconductivity, charge density waves, and the valley Hall effect.…