Related papers: Convergence of defect energetics calculations
Monolayer hexagonal boron nitride (hBN) has recently become the focus of intense research as a material to host quantum emitters. Although it is well known that such emission is associated with point defects, so far no conclusive…
Defect states in 2D materials present many possible uses but both experimental and computational characterization of their spectroscopic properties is difficult. We provide and compare results from 13 DFT and ab initio computational methods…
Charged defects in 2D materials have emerging applications in quantum technologies such as quantum emitters and quantum computation. Advancement of these technologies requires rational design of ideal defect centers, demanding reliable…
The $V_N N_B$ defect in hexagonal boron nitride (h-BN), comprising a nitrogen vacancy adjacent to a nitrogen-for-boron substitution, is modelled in regard to its possible usefulness in a nanophotonics device. The modelling is done on both a…
Defects in hexagonal boron nitride (hBN) exhibit single-photon emission (SPE) and are thus attracting broad interest as platforms for quantum information and spintronic applications. However, the atomic structure and the specific impact of…
Recently, numerous techniques have been reported for generating optically active defects in exfoliated hexagonal boron nitride (hBN), which hold transformative potential for quantum photonic devices. However, achieving on-demand generation…
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…
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…
Hexagonal boron nitride (hBN) is attracting a lot of attention in the last years, thanks to its many remarkable properties. These include the presence of single-photon emitters with superior optical properties, which make it an ideal…
Color centers in hexagonal boron nitride (hBN) have become an intensively researched system due to their potential applications in quantum technologies. There has been a large variety of defects being fabricated, yet, for many of them, the…
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…
Crystal defects in the two-dimensional insulator hexagonal boron nitride (hBN) can host localised electronic states that are candidates for applications in quantum technology, yet the precise chemical and structural nature of the defects…
The signature of defects in the optical spectra of hexagonal boron nitride (BN) is investigated using many body perturbation theory. A single BN-sheet serves as a model for different layered BN- nanostructures and crystals. In the sheet we…
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…
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…
Creation of defect with predetermined optical, chemical and other characteristics is a powerful tool to enhance the functionalities of materials. Herewith, we utilize density functional theory to understand the microscopic mechanisms of…
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…
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…
Paramagnetic substitutional carbon (C$_\text{B}$, C$_\text{N}$) defects in hexagonal boron nitride (hBN) are discussed as candidates for quantum bits. Their identification and suitability are approached by means of photoluminescence (PL),…
Extensive photochemical and spectroscopic properties of the $V_B^-$ defect in hexagonal boron nitride are calculated, concluding that the observed photoemission associated with recently observed optically-detected magnetic resonance is most…