ArticleThe journal of physical chemistry letters2022
Identification of an Oxygen Defect in Hexagonal Boron Nitride.
Article in The journal of physical chemistry letters, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Multi-wavelength spin dynamics of defects in hexagonal boron nitride.Light, science & applications · 2026Article
- Emission dipole orientation reveals dynamic single-molecule interactions with 2D crystals at solvent interfaces.Nature communications · 2026Article
- Quantum emission from coupled spin pairs in hexagonal boron nitride.Nature communications · 2025Article
- Dynamic Interplay of Nonlocal Recombination Pathways in Quantum Emitters in Hexagonal Boron Nitride.The journal of physical chemistry. C, Nanomaterials and interfaces · 2025Article
- Quantum sensing with optically accessible spin defects in van der Waals layered materials.Light, science & applications · 2024Article
- A quantum coherent spin in hexagonal boron nitride at ambient conditions.Nature materials · 2024Article
- Quantitative Investigation of Quantum Emitter Yield in Drop-Casted Hexagonal Boron Nitride Nanoflakes.ACS applied optical materials · 2024Article
- Combining experiments on luminescent centres in hexagonal boron nitride with the polaron model andNanoscale · 2023Article
- Coherent control of an ultrabright single spin in hexagonal boron nitride at room temperature.Nature communications · 2023Article
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Paramagnetic fluorescent defects in two-dimensional hexagonal boron nitride (hBN) are promising building blocks for quantum information processing. Although numerous defect-related single-photon sources and a few quantum bits have been found, except for the boron vacancy, their identification is still elusive. Here, we demonstrate that the comparison of experimental and first-principles simulated electron paramagnetic resonance (EPR) spectra is a powerful tool for defect identification in hBN, and first-principles modeling is inevitable in this process as a result of the dense nuclear spin environment of hBN. In particular, a recently observed EPR center is associated with the negatively charged oxygen vacancy complex by means of the many-body perturbation theory method on top of hybrid density functional calculations. To our surprise, the negatively charged oxygen vacancy complex produces a coherent emission around 2 eV with a well-reproducing previously recorded photoluminescence spectrum of some quantum emitters, according to our calculations.
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