Related papers: Strain-dependent structural and electronic reconst…
Twisted multilayers of two-dimensional (2D) materials are an increasingly important platform for investigating quantum phases of matter, and in particular, strongly correlated electrons. The moir\'e pattern introduced by the relative twist…
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…
Applying elastic deformation can tune a material physical properties locally and reversibly. Spatially modulated lattice deformation can create a bandgap gradient, favouring photo-generated charge separation and collection in optoelectronic…
We apply a multiscale modeling approach to study lattice reconstruction in marginally twisted bilayers of transition metal dichalcogenides (TMD). For this, we develop DFT-parametrized interpolation formulae for interlayer adhesion energies…
Two-dimensional moir\'e materials are formed by artificially stacking atomically thin monolayers. A wealth of correlated and topological quantum phases can be engineered via precise choice of stacking geometry. These designer electronic…
In two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs), new electronic phenomena such as tunable band gaps and strongly bound excitons and trions emerge from strong many-body effects, beyond spin-orbit coupling- and…
The kagome metals AV$_{3}$Sb$_{5}$ (A = K, Rb, Cs) provide a unique platform to investigate the physics of interacting electrons, a central challenge in condensed matter physics. A key obstacle in unraveling their correlated behavior is to…
Imposing incommensurable periodicity on the periodic atomic lattice can lead to complex structural phases consisting of locally periodic structure bounded by topological defects. Twisted trilayer graphene (TTG) is an ideal material platform…
Moir\'e patterns arising from twisted van der Waals stacks fundamentally reshape their electronic properties, enabling band-structure engineering that has driven rapidly growing interest in this field. In studying electronic properties,…
In moir\'e crystals formed by stacking van der Waals (vdW) materials, surprisingly diverse correlated electronic phases and optical properties can be realized by a subtle change in the twist angle. Here, we discover that phonon spectra are…
Two-dimensional heterostructures with layers of slightly different lattice vectors exhibit a new periodic structure known as moire lattices. Moire lattice formation provides a powerful new way to engineer the electronic structure of…
Moir\'e superlattices in stacked 2D crystals are powerful platforms for engineering correlated and topological quantum phases, with twisted graphene and transition metal dichalcogenides (TMDs) as prominent examples. Their angle-sensitive…
There is immense interest in how the local environment influences the electronic structure of materials at the single layer limit. We characterize moir\'e induced spatial variations in the electronic structure of in-situ grown monolayer…
Transition Metal Dichalcogenides (TMDs) are one of the most studied two-dimensional materials in the last 5-10 years due to their extremely interesting layer dependent properties. Despite the presence of vast research work on TMDs, the…
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 optical properties of two-dimensional materials can be effectively tuned by strain induced from a deformable substrate. In the present work we combine first-principles calculations based on density functional theory and the effective…
In the field of 2D materials, transition metal dichalcogenides (TMDs) are gaining attention for electronic applications. Our study delves into the H-phase monolayer VS$_2$ of the TMD family, analyzing its electronic structure and how strain…
The ability to manipulate two-dimensional (2D) electrons with external electric fields provides a route to synthetic band engineering. By imposing artificially designed and spatially periodic superlattice (SL) potentials, 2D electronic…
Electronic correlation and reconstruction are two important factors that play a critical role in shaping the magnetic and electronic properties of correlated low-dimensional systems. Here, we report a competition between the electronic…
Understanding and controlling the electronic properties of two-dimensional materials is crucial for their potential applications in nano- and optoelectronics. Monolayer transition metal dichalcogenides such as WS$_2$ have garnered…