Related papers: Quantitative determination of interlayer electroni…
Recent technical progress demonstrates the possibility of stacking together virtually any combination of atomically thin crystals of van der Waals bonded compounds to form new types of heterostructures and interfaces. As a result, there is…
It has recently been shown that quantum-confined states can appear in epitaxially grown van der Waals material heterobilayers without a rotational misalignment ($\theta=0^\circ$), associated with flat bands in the Brillouin zone of the…
Stacking monolayer semiconductors results in moir\'e patterns that host many correlated and topological electronic phenomena, but measurements of the basic electronic structure underpinning these phenomena are scarce. Here, we investigate…
The chirality of electronic Bloch bands is responsible for many intriguing properties of layered two-dimensional materials. We show that in bilayers of transition metal dichalcogenides (TMDCs), unlike in few-layer graphene and monolayer…
The vertical stacking of van der Waals (vdW) materials introduces a new degree of freedom to the research of two-dimensional (2D) systems. The interlayer coupling strongly influences the band structure of the heterostructures, resulting in…
Stacking of two-dimensional (2D) materials has emerged as a facile strategy for realising exotic quantum states of matter and engineering electronic properties. Yet, developments beyond the proof-of-principle level are impeded by the vast…
Moir\'e superlattices can induce correlated-electronic phases in twisted van-der-Waals materials. Strongly correlated quantum phenomena emerge, such as superconductivity and the Mott-insulating state. However, moir\'e superlattices produced…
Interlayer excitons in transition-metal dichalcogenide heterobilayers combine high binding energy and valley-contrasting physics with long optical lifetime and strong dipolar character. Their permanent electric dipole enables electric-field…
The study of moir\'e engineering started with the advent of van der Waals heterostructures in which stacking two-dimensional layers with different lattice constants leads to a moir\'e pattern controlling their electronic properties. The…
We have investigated interlayer interactions in the bilayer PtTe$_{2}$ system, which influence the electronic energy bands near the Fermi levels. Our diffusion Monte Carlo (DMC) calculations for the high-symmetry bilayer stackings (AA, AB,…
Van der Waals heterostructures based on TMDC semiconducting materials have emerged as promising materials due to their spin-valley properties efficiently contrived by the stacking-twist angle. The twist angle drastically alters the…
In this work, we employ the LDA, GGA and GGA with four vdW corrections to study crystal and electronic structures of bilayer transition metal dichalcogenides (TMDs) with different twist angles. We find the GGA interlayer distance of bilayer…
The incommensurate stacking of multi-layered two-dimensional materials is a challenging problem from a theoretical perspective and an intriguing avenue for manipulating their physical properties. Here we present a multi-scale model to…
The millimeter sized monolayer and bilayer 2H-MoTe2 single crystal samples are prepared by a new mechanical exfoliation method. Based on such high-quality samples, we report the first direct electronic structure study on them, using…
Twisted magnetic van der Waals (vdW) materials offer a promising route for multiferroic engineering, yet modeling large-scale moir\'e superlattices remains challenging. Leveraging a newly developed SpinGNN++ framework that effectively…
A methodology to test the interlayer bonding strength of two-dimensional (2D) surfaces and associated one (1D)- and two (2D)- dimensional surface defects using scanning tunneling microscope tip-induced deformation, is demonstrated. Surface…
Layered van der Waals materials are exciting as they often host multiple, competing electronic phases. This article reports experimental observation of the co-existence of insulating and metallic phases deep within the commensurate charge…
Magnetoelectric coupling in insulating multiferroic materials is invaluable for both fundamental research and multifunctional device applications. However, material realization remains a significant challenge. We employ first-principles…
Moir\'e superlattices serve as a playground for emerging phenomena, such as localization of band states, superconductivity, and localization of excitons. These superlattices are large and are often modeled in the zero angle limit, which…
We investigate the magnetic proximity effect in van der Waals heterostructure formed by a monolayer semiconductor stacked on a 2D ferromagnet, where the lattice mismatch and twisting between the layers typically lead to the formation of…