Related papers: Proper ab-initio dielectric function of 2D materia…
Following the recent demonstration that van der Waals forces control the ferroelectric ordering of layers within nanoflakes and bulk samples of CuBiP2Se6 and CuInP2S6, it is demonstrated that they also control the internal geometrical…
Two-dimensional (2D) electronic materials are of significant technological interest due to their exceptional properties and broad applicability in engineering. The transition from nanoscale physics, that dictates their stable…
Materials with reduced dimensions have been shown to host a wide variety of exotic properties and novel quantum states that often defy textbook wisdom1-5. Ferroelectric polarization and metallicity are well-known examples of mutually…
Two-dimensional (2D) superconductors provide a powerful building block for engineering emergent quantum states shaped by reduced dimensionality, enhanced quantum fluctuations, and interfacial symmetry breaking. In van der Waals…
Although the precise microscopic knowledge of van der Waals interactions is crucial for understanding bonding in weakly bonded layered compounds, very little quantitative information on the strength of interlayer interaction in these…
Van der Waals heterostructures have been used to tailor atomic layers into various artificial materials through interactions at heterointerfaces. The interplay between the band gap created by the band folding of the interfacial potential…
Two dimensional van der Waals heterostructures (2D are of significant interest due to their intriguing physical properties that are critically defined by the constituent monolayers and their interlayer coupling . However, typical inorganic…
Van der Waals (vdW) materials offer new ways to assemble artificial electronic media with properties controlled at the design stage, by combining atomically defined layers into interfaces and heterostructures. Their potential for…
Understanding and controlling interfacial electronic coupling in two-dimensional (2D) heterostructures is essential for designing functional materials for electronic, optoelectronic, and catalytic applications. Here, we investigate vertical…
We study the dielectric response of few layered crystals of various transition metal dichalcogenides (TMDs) and hexagonal Boron Nitride (hBN). We showed that the out-of-plane polarizability of a multilayer crystal (which characterizes…
The diversity of 2D materials and their van der Waals (vdW) stacking presents a fertile ground for engineering novel multifunctional materials and quantum states of matter. This permits unique opportunities to tailor the electronic…
Recently, in-plane biaxial hyperbolicity has been observed in $\alpha$-MoO${_3}$ --a van der Waal crystal-- in the mid-infrared frequency regime. Here, we present a comprehensive theoretical analysis of thin film $\alpha$-MoO${_3}$ for…
A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [H. Rydberg, et al., Phys. Rev. Lett. 91, 126402…
The key to achieving high-quality van der Waals heterostructure devices made by stacking two-dimensional (2D) layered materials lies in having a clean interface without interfacial bubbles and wrinkles. In this study, the pinpoint pick-up…
We derive and validate a quantitative analytical model of the near-field electrostatic effects in the vicinity (>=3\AA) of two-dimensional (2D) materials. In solving the Poisson equation of a near-planar point charge ansatz for the…
The ability to control the polarization of light at the extreme nanoscale has long been a major scientific and technological goal for photonics. Here we predict the phenomenon of polarization splitting through van der Waals heterostructures…
Interlayer stacking order has recently emerged as a unique degree of freedom to control crystal symmetry and physical properties in two-dimensional van der Waals (vdW) materials and heterostructures. By tuning the layer stacking pattern,…
Van der Waals materials composed of stacks of individual atomic layers have attracted considerable attention due to their exotic electronic properties that can be altered by, for example, manipulating the twist angle of bilayer materials or…
Convergent beam electron diffraction (CBED) performed on two-dimensional (2D) materials recently emerged as a powerful tool to study structural and stacking defects, adsorbates, atomic 3D displacements in the layers, and the interlayer…
Detailed physisorption data from experiment for the H_2 molecule on low-index Cu surfaces challenge theory. Recently, density-functional theory (DFT) has been developed to account for nonlocal correlation effects, including van der Waals…