First-principles computations of the Stark shift of a defect-bound exciton: The case of the T center in silicon

The T center in silicon is a promising defect for quantum information science. Here, the authors use density functional theory to study the Stark shift of its zero-phonon line. Understanding Stark shift effects in quantum defects is important for their spectral diffusion. The work points to the technical challenge of dealing with bound exciton defects with DFT and stresses the importance of beyond first-order effects in these systems with delocalized wave functions.