Understanding and Identifying New Quantum Defects in Silicon Using High-Throughput Computational Screening

Using silicon as a host for quantum emitters and spin-photon interfaces would have enormous advantages in terms of integration. Emerging quantum defects in silicon such as the T or G centers have shown growing interests and promising properties. The search for better color centers in silicon is still open. Here, we will present an overview of the challenges in designing high performance quantum defects in silicon. We will base our analysis on a database of around 20,000 defects in silicon computed using high-throughput first principles computing. We will present some suggested new defects including our recently discovered T center-like defects (e.g., (Al-C)Si or (Ga-C)Si). We will then discuss inherent difficulties in designing two level systems fitting within the small band gap of silicon and the inherent challenges of using bound-exciton defects as spin-photon interfaces.