Computational design of Two-Dimensional Spin-Defects for Quantum Sensing

Spin-defects in semiconductors have the potential for outstanding sensitivity to temperature, electric/magnetic fields and pressure, making them ideal quantum sensors. Utilizing spin-defects in two-dimensional materials will facilitate close proximity, enhancing sensitivity and enabling practical nano-scale mapping of external stimuli. Furthermore, this unique materials class offers improved tunability via strong structure-property relations.

This project will apply ab initio methods to explore the effect of tuning strain and twist angle on spin-defects in hexagonal boron nitride, alongside a computational search for novel candidate defects in transition metal dichalcogenides. The outcomes of this project will provide routes to application-tailored quantum sensing.