Related papers: The Stacking in Bulk and Bilayer Hexagonal Boron N…
The existence of Bloch flat bands provides an facile pathway to realize strongly correlated phenomena in materials. Using density-functional theory and tight-binding approach, we show that the flat bands can form in twisted bilayer of…
The van der Waals layered semiconductor CrSBr, which exhibits A-type antiferromagnetism and a relatively high N\'{e}el temperature, has been successfully exfoliated into atomically thin sheets. In this study, we investigate the structural,…
Electronic properties of the graphene layer sandwiched between two hexagonal boron nitride sheets have been studied using the first-principles calculations and the minimal tight-binding model. It is shown that for the ABC-stacked structure…
In this work, we adopt first-principle calculations based on density functional theory and Kinetic Monte Carlo simulations to investigate the adsorption and diffusion of lithium in bilayer graphene (BLG) as anodes in lithium-ion batteries.…
Hexagonal boron nitride (hBN) is a natural hyperbolic material that supports both volume-confined hyperbolic polaritons (HPs) and sidewall-confined hyperbolic surface polaritons (HSPs). In this work, we demonstrate effective excitation,…
Competing charge and spin orders are central to uncovering the nature of unconventional superconductivity. Here we utilize synchrotron X-ray diffraction on a high-quality single crystal to reveal the charge order of La$_3$Ni$_2$O$_7$ at…
We characterize the order-disorder transition in a model lipid bilayer using molecular dynamics simulations. We find that the ordered phase is hexatic. In particular, in-plane structures possess a finite concentration of 5-7 disclination…
The effect of strong confinement on the positional and orientational ordering is examined in a system of hard rectangular rods with length L and diameter D (L>D) using the Parsons-Lee modification of the second virial density functional…
Despite its simple crystal structure, layered boron nitride features a surprisingly complex variety of phonon-assisted luminescence peaks. We present a combined experimental and theoretical study on ultraviolet-light emission in hexagonal…
The negatively charged boron vacancy ($\mathrm{V}_{\mathrm{B}}^-$) in hexagonal boron nitride (hBN) has garnered significant attention among defects in two-dimensional materials. This owes, in part, to its deterministic generation,…
Interlayer excitons in van der Waals heterostructures offer rich collective phases, prospective optoelectronic applications, and versatile tunability, where control by electronic means is particularly relevant and practical. Here, in the…
Motivated by anomalously large conductivity anisotropy in layered materials, we propose a simple model of randomly spaced potential barriers (mimicking stacking faults) with isotropic impurities in between the barriers. We solve this model…
Few-layer graphene systems come in various stacking orders. Considering tight-binding models for electrons on stacked honeycomb layers, this gives rise to a variety of low-energy band structures near the charge neutrality point. Depending…
Two-dimensional layered materials offer the possibility to create artificial vertically stacked structures possessing an additional degree of freedom - $the$ $interlayer$ $twist$. We present a comprehensive optical study of artificially…
Phosphorene, a monolayer of black phosphorus, is promising for nanoelectronic applications not only because it is a natural p-type semiconductor but also it possesses a layer-number dependent direct bandgap (in the range of 0.3 eV~1.5 eV).…
The dispersion of nitride and carbide ceramic particles in water is difficult, due to the absence of hydroxyl groups on their surface. Boron nitride is not an exception and despite its numerous applications, no effective dispersant has been…
We discuss orientational ordering in monolayers of solid hydrogen in view of recent experimental findings in NMR studies of (\QTR{it}{ortho)}$_{c}$-(\QTR{it}{para)}$_{1-c}$-hydrogen mixtures on boron nitride substrate. Analysis of the…
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…
Understanding interstitial segregation in chemically complex alloys requires accounting for chemical and structural heterogeneity of interfaces, motivating approaches that move beyond scalar descriptors to capture the full spatial and…
At very small twist angles, bilayer moir\'e systems exhibit characteristic stacking domain patterns, where the moir\'e length scale is determined solely by the twist angle. In contrast, the additional stacking and twisting degrees of…