Quantum sensing of magnetic fields with molecular color centers

TL;DR

This paper demonstrates through simulation that molecular color centers like Cr(o-tolyl)4 can spatially distinguish between different magnetic interactions at various distances, enabling advanced magnetic sensing of 2D materials.

Contribution

It provides the first theoretical validation showing how molecular color centers can differentiate proximity exchange from magnetic fields in 2D magnets.

Findings

Cr(o-tolyl)4 can resolve proximity exchange effects.

At short distances, exchange interactions dominate.

At longer distances, magnetostatic effects prevail.

Abstract

Molecular color centers, such as $S=1$ Cr($o$-tolyl)$_{4}$, show promise as an adaptable platform for magnetic quantum sensing. Their intrinsically small size, i.e., 1-2 nm, enables them to sense fields at short distances and in various geometries. This feature, in conjunction with tunable optical read-out of spin information, offers the potential for molecular color centers to be a paradigm shifting materials class beyond diamond-NV centers by accessing a distance scale opaque to NVs. This capability could, for example, address ambiguity in the reported magnetic fields arising from two-dimensional magnets by allowing for a single sensing technique to be used over a wider range of distances. Yet, so far, these abilities have only been hypothesized with theoretical validation absent. We show through simulation that Cr($o$-tolyl)$_{4}$ can spatially resolve proximity-exchange versus direct magnetic field effects from monolayer CrI$_{3}$ by quantifying how these interactions impact the excited states of the molecule. At short distances, proximity exchange dominates through molecule-substrate interactions, but at further distances the molecule behaves as a typical magnetic sensor, with magnetostatic effects dominating changes to the energy of the excited state. Our models effectively demonstrate how a molecular color center could be used to measure the magnetic field of a 2D magnet and the role different distance-dependent interactions contribute to the measured field.