Related papers: Cubic BN optical gap and intragap optically active…
Color centers in h-BN are among the brightest emission centers known yet the origins of these emission centers are not well understood. Here, using first-principles calculations in combination with the generating function method, we…
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…
Spin defects in hexagonal boron nitride, and specifically the negatively charged boron vacancy (VB) centres, are emerging candidates for quantum sensing. However, the VB defects suffer from low quantum efficiency and as a result exhibit…
Hexagonal boron nitride (hBN) has recently emerged as a fascinating platform for room-temperature quantum photonics due to the discovery of robust visible light single-photon emitters. In order to utilize these emitters, it is necessary to…
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.…
Cubic boron nitride (c-BN) is an ultrawide-bandgap semiconductor of significant interest for high-frequency and high-power electronics applications owing to its high saturation drift velocity and high electric breakdown field. Beyond…
Nitrogen interstitials (N$_\mathrm{i}$) have the lowest formation energy among intrinsic defects of hexagonal boron nitride (hBN) under n-type and N-rich conditions. Using an optimized hybrid functional, which reproduces the gap and…
Tetravacancies in monolayer hexagonal boron nitride (hBN) with consistent edge termination (boron or nitrogen) form triangular nanopores with electrostatic potentials that can be leveraged for applications such as selective ion transport…
Ultraviolet (UV) quantum emitters in hexagonal boron nitride (hBN) have generated considerable interest due to their outstanding optical response. Recent experiments have identified a carbon impurity as a possible source of UV single photon…
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…
Determination of the chemical and spectroscopic natures of defects in materials such as hexagonal boron nitride (h-BN) remains a serious challenge for both experiment and theory. To establish basics needs for reliable calculations, we…
Precise control over the electronic and optical properties of defect centers in solid-state materials is necessary for their applications as quantum sensors, transducers, memories, and emitters. In this study, we demonstrate, from first…
Defect centers in insulators play a critical role in creating important functionalities in materials: prototype qubits, single-photon sources, magnetic field probes, and pressure sensors. These functionalities are highly dependent on their…
We study the carbon dimer defect in a hexagonal boron-nitride monolayer using the GW and Bethe-Salpeter many-body perturbation theories within a finite size cluster approach. While quasiparticle energies converge very slowly with system…
Room-temperature optically active solid-state spin defects are widely known to be useful in quantum sensing applications, however, only a select range of materials have been found to host such systems. Recent measurements in the van der…
Two-dimensional hexagonal boron nitride (hBN) has attracted large attentions as platforms for realizations for integrated nanophotonics and collective effort has been focused on the spin defect centers. Here, the temperature dependence of…
There is a growing interest in identifying the origin of single-photon emission in hexagonal boron nitride (hBN), with proposed candidates including boron and nitrogen vacancies as well as carbon substitutional dopants. Because photon…
Negatively charged boron vacancy (VB-) centers in hexagonal boron nitride (hBN) are promising spin defects in a van der Waals crystal. Understanding the spin properties of the excited state (ES) is critical for realizing dynamic nuclear…
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…
Optically active spin defects in van der Waals materials are promising platforms for modern quantum technologies. Here we investigate the coherent dynamics of strongly interacting ensembles of negatively charged boron-vacancy…