Symmetry of the Hyperfine and Quadrupole Interactions of Boron Vacancies in a Hexagonal Boron Nitride
نویسندگان
چکیده
The concept of optically addressable spin states deep level defects in wide band gap materials is successfully applied for the development quantum technologies. Recently discovered negatively charged boron vacancy (VB) hexagonal nitride (hBN) potentially allow a transfer this onto atomic thin layers due to van der Waals nature defect host. Here, we experimentally explore all terms VB Hamiltonian reflecting interactions with three nearest nitrogen atoms by means conventional electron resonance and high frequency (94 GHz) electron-nuclear double resonance. We establish symmetry, anisotropy, principal values corresponding hyperfine interaction (HFI) nuclear quadrupole (NQI). HFI can be expressed axially symmetric form as Aperp = 45.5 MHz Apar 87 MHz, while NQI characterized coupling constant Cq 1.96 slight rhombisity parameter n (Pxx - Pyy)/Pzz -0.070. Utilizing approach based on linear combination orbitals measured here, reveal that almost density (84 %) localized atoms. Our findings serve valuable spectroscopic data direct experimental demonstration localization single two dimensional BN layer.
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ژورنال
عنوان ژورنال: Journal of Physical Chemistry C
سال: 2023
ISSN: ['1932-7455', '1932-7447']
DOI: https://doi.org/10.1021/acs.jpcc.2c08716