High-throughput search for defect-based qubits in silicon

Point defects in semiconductors have become central to searching and designing physical systems for use as qubits. The color centers in silicon have seen a resurgence of interest in quantum information science, such as Se⁺_Si, the T center, and the G center [1,2,3,4]. Using first-principles methods, we performed a high-throughput search for point defects (substitutions and interstitials) in silicon that are thermodynamically stable, with accessible charge states, and optically active. Our results suggest promising candidates for qubit applications and shed light on designing strategies for innovative defect-based qubits.