Related papers: First-principles study of a novel superhard boron …
Dielectrics with low loss at microwave frequencies are imperative for high-coherence solid-state quantum computing platforms. We study the dielectric loss of hexagonal boron nitride (hBN) thin films in the microwave regime by measuring the…
When two-dimensional crystals are brought into close proximity, their interaction results in strong reconstruction of electronic spectrum and local crystal structure. Such reconstruction strongly depends on the twist angle between the two…
For the first time, the neutron optical wall-potential of natural cubic boron nitride (cBN) was measured at the ultracold neutron (UCN) source of the research reactor TRIGA Mainz using the time-of-flight method (TOF). The samples…
Hexagonal boron nitride (hBN) is a prototypical high-quality two-dimensional insulator and an ideal material to study tunneling phenomena, as it can be easily integrated in vertical van der Waals devices. For spintronic devices, its…
The structural modifications of polycrystalline hexagonal boron nitride implanted with He+ ion beams at energies between 200 keV and 1.2 MeV to fluences of 1.0 \times 1017 ions \cdot cm-2 were investigated using micro-Raman spectroscopy.…
The non-equilibrium boron nitride (BN) phase of zinc oxide (ZnO) has been reported for thin films and nanostructures, however, its properties are not well understood due to a persistent controversy that prevents reconciling experimental and…
The effect of an hexagonal boron nitride (hBN) layer close aligned with twisted bilayer graphene (TBG) is studied. At sufficiently low angles between twisted bilayer graphene and hBN, $\theta_{hBN} \lesssim 2^\circ$, the graphene electronic…
Monolayer hBN has attracted interest as a potentially weakly interacting 2D insulating layer in heterostructures. Recently, wafer-scale hBN growth on Cu(111) has been demonstrated for semiconductor chip fabrication processes and transistor…
We map the high-pressure phase diagram of nitrogen hydrate up to 16 GPa at room temperature by combining neutron diffraction, Raman spectroscopy, and crystal structure prediction. We reveal a rich sequence of structural transformations,…
Evaluation of the defect levels in low-dimensional materials is an important aspect of quantum science. In this article, we report a facile synthesis method of hexagonal boron nitride (h-BN) and evaluate the defects and their light emission…
A novel crystalline structure of hybrid monolayer hexagonal boron nitride (BN) and graphene is predicted by means of the first-principles calculations. This material can be derived via boron or nitrogen atoms substituted by carbon atoms…
We report a detailed theoretical study of the structural, vibrational, and optical properties of solid nitromethane using first principles density functional calculations. The ground state properties were calculated using a plane wave…
Hexagonal boron nitride ($\it h$-BN) exhibits dominant $\pi$-bands near the Fermi level, similar to graphene. However, unlike graphene, where tight-binding (TB) models accurately reproduce band edges near the $K$ and $K^{\prime}$ points in…
Boron vacancies (VB${^-}$) in hexagonal boron-nitride (hBN) have sparked great interest in recent years, due to their electronic spin properties. Since hBN can be readily integrated into devices where it interfaces a huge variety of other…
Hexagonal boron nitride (hBN) has recently gained a strong interest as a strategic component in engineering van der Waals heterostructures built with two dimensional crystals such as graphene. This work reports micro-Raman measurements on…
Bilayer graphene nanoribbon with zigzag edge is investigated with the tight binding model. Two stacking structures, alpha and beta, are considered. The band splitting is seen in the alpha structure, while the splitting in the wave number…
Zigzag edges of graphene have long been predicted to exhibit magnetic electronic state near the Fermi level, which can cause spin-related phenomena and offer unique potentials for graphene-based spintronics. However, the magnetic conduction…
Through machine learning force field accelerated structure search combined with first-principles calculations, we have studied the structures of new C-N compounds with different stoichiometric ratios, and found twelve new superhard C-N…
Hexagonal boron nitride (h-BN) is the only known material aside from graphite with a structure composed of simple, stable, non-corrugated atomically thin layers. While historically used as lubricant in powder form, h-BN layers have become…
We investigated the electronic and optical properties of bilayer AB stacked Boron and Nitrogen vacancies in hexagonal Boron Nitride (h-BN) using density functional theory (DFT). The density of states (DOS) and electronic band structure…