Oral: Nitrogen-vacancy center in diamond under pressure

The negatively charged nitrogen-vacancy (NV - ) center in diamond, known for its long spin

lifetimes (~6 ms) at room temperature [1] and coherence times (~a few ms) [2], is a prominent

solid-state spin qubit platform in quantum information science, including quantum computing,

quantum sensing, and quantum communication. Recently, there have been numerous efforts

to utilize the NV- center for sensing pressure-induced properties of materials by monitoring

Zero-Field-Splitting energy (ZFS) and Zero-Phonon Line (ZPL) [3,4]. In this work, we used

first-principles density-functional calculations to investigate the pressure-induced changes in

key parameters such as ZFS, ZPL, and ionization potential. Our results predict the tunability

of these quantities under pressure.

[1] A. Jarmola et al., Phys. Rev. Lett. 108, 197601 (2012).

[2] G. Balasubramanian et al., Nat. Mater. 8, 383 (2009).

[3] K. Ho et al., J. Appl. Phys. 129, 241101 (2021).

[4] M. W. Doherty et al, Phys. Rev. Lett. 112, 047601 (2014).