Related papers: Carbon and vacancy centers in hexagonal boron nitr…
Hexagonal boron nitride (hBN) is a wide band gap, van der Waals material that is highly promising for solid-state quantum technologies as a host of optically addressable, paramagnetic spin defects. Intrinsic and extrinsic point defects…
Defect centers in wide-band-gap crystals attracted considerable attention due to the realisations of qubits, sensors, or single photon emitters at room temperature. The family of these centers is constantly growing, including well-known…
Spin qubit defects in two-dimensional materials have a number of advantages over those in three-dimensional hosts including simpler technologies for the defect creation and control, as well as qubit accessibility. In this work, we select…
We report on the detection and charge distribution analysis for nitrogen substitutional dopants in single layer graphene membranes by aberration-corrected high-resolution transmission electron microscopy (HRTEM). Further, we show that the…
The formation and electronic properties of nitrogen-related defect complexes in $\beta-Ga_2O_3$ are investigated using first-principles calculations. Starting from the energetically favorable $N_{i9}-N_{OI}$ configuration, nitrogen atoms…
Atomic defects in solid-state materials are building blocks for future quantum technologies, such as quantum communication networks, computers, and sensors. Until recently, a handful of defects in a small selection of host materials have…
Using density functional theory, we study proton permeation through graphene and hexagonal boron nitride. We consider several factors influencing the barriers for permeation, including structural optimization, the role of the solvent,…
Although point defects in hexagonal boron nitride exhibiting single-photon emission attract considerable interest, a broader understanding of defect physics and chemistry in hBN remains limited, potentially hindering further development.…
Color centers in hexagonal boron nitride (hBN) are presently attracting broad interest as a novel platform for nanoscale sensing and quantum information processing. Unfortunately, their atomic structures remain largely elusive and only a…
Recent progress in preparing well controlled 2D van der Waals heterojunctions has opened up a new frontier in materials physics. In this paper we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed…
Hexagonal boron nitride (hBN) has been experimentally shown to exhibit room-temperature single-photon emission. This emission is attributed to defect states in the wide band-gap of hBN, which allow new optical transitions between these…
Point defect species and concentrations in metastable Fe-C alloys are determined using density functional theory and a constrained free-energy functional. Carbon interstitials dominate unless iron vacancies are in significant excess,…
We propose an electromechanical scheme where the electronic degrees of freedom of boron vacancy color centers hosted by a hexagonal boron nitride nanoribbon are coupled for quantum information processing. The mutual coupling of color…
Boron carbonitride (BxCyNz) represents an interesting family of materials containing all light elements and two dimensional graphene like hybrid layers. Although rich literature exists on this peculiar material in chemically processed form,…
Key properties of nine possible defect sites in hexagonal boron nitride (h-BN) are predicted using density-functional theory and are corrected by applying results from high-level ab initio calculations. Observed h-BN electron-paramagnetic…
The controlled creation and manipulation of defects in 2D materials has become increasingly popular as a means to design and tune new material functionalities. However, defect characterization by direct atomic imaging is often severely…
When two-dimensional atomic layers of different materials are brought into close proximity to form van der Waals (vdW) heterostructures, interactions between adjacent layers significantly influence their physicochemical properties. These…
Quantum emitters in hexagonal boron nitride (hBN) have gained significant attention due to a wide range of defects that offer high quantum efficiency and single-photon purity at room temperature. Most theoretical studies on hBN defects…
We explain the nature of the electronic band gap and optical absorption spectrum of Carbon - Boron Nitride (CBN) hybridized monolayers using density functional theory (DFT), GW and Bethe-Salpeter equation calculations. The CBN…
Spin defects in hexagonal boron nitride (hBN) are promising quantum systems for the design of flexible two-dimensional quantum sensing platforms. Here we rely on hBN crystals isotopically enriched with either $^{10}$B or $^{11}$B to…