Abstract
The boron-vacancy spin defect (V − B) in hexagonal boron nitride (hBN) has a great potential as a quantum sensor in a two-dimensional material that can directly probe various external perturbations in atomic-scale proximity to the quantum sensing layer. Here, we apply first principles calculations to determine the coupling of the V − B electronic spin to strain and electric fields. Our work unravels the interplay between local piezoelectric and elastic effects contributing to the final response to the electric fields. The theoretical predictions are then used to analyse optically detected magnetic resonance (ODMR) spectra recorded on hBN crystals containing different densities of V − B centres. We prove that the orthorhombic zero-field splitting parameter results from local electric fields produced by surrounding charge defects. By providing calculations of the spin-strain and spin-electric field couplings, this work paves the way towards applications of V − B centres for quantitative electric field imaging and quantum sensing under pressure.