A planar defect spin sensor in a two-dimensional material susceptible to strain and electric fields

Udvarhelyi, Péter; Clua-Provost, Tristan; Durand, Alrik; Li, Jiahan; Edgar, James H.; Gil, Bernard; Cassabois, Guillaume; Jacques, Vincent; Gali, Adam

doi:10.1038/s41524-023-01111-7

A planar defect spin sensor in a two-dimensional material susceptible to strain and electric fields

Journal Article · Tue Aug 22 00:00:00 EDT 2023 · npj Computational Materials

DOI:https://doi.org/10.1038/s41524-023-01111-7· OSTI ID:1996261

; Clua-Provost, Tristan; Durand, Alrik; Li, Jiahan; ; Gil, Bernard; Cassabois, Guillaume; Jacques, Vincent;

Abstract

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

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Research Organization:: Idaho National Laboratory (INL), Idaho Falls, ID (United States)

Sponsoring Organization:: US Department of the Navy, Office of Naval Research (ONR); USDOE; USDOE Office of Nuclear Energy (NE)

Grant/Contract Number:: AC07-05ID14517

OSTI ID:: 1996261

Alternate ID(s):: OSTI ID: 2424218

Journal Information:: npj Computational Materials, Journal Name: npj Computational Materials Journal Issue: 1 Vol. 9; ISSN 2057-3960

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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