First-Principles Investigation of Surface-Induced Effects on the Properties of Divacancy Qubits in 3C-SiC

Abstract: Near-surface divacancy defects in cubic silicon carbide exhibit modified properties due to surface-induced symmetry breaking, as revealed by our first-principles calculations. The spin Hamiltonian is modulated by the defect's depth and orientation, providing key insights for engineering robust SiC-based quantum devices and nanoscale sensors.