First-Principle Prediction of Stress-Tunable Single-Photon Emitters at Telecommunication Band from Point Defects in GaN

Point defect-based single-photon emitters (SPEs) in GaN have aroused a great deal of interest due to their room-temperature operation, narrow line width and high emission rate. The SPEs at the telecommunication bands also been realized recently by localized defects experiments, which are highly desired for practical applications quantum communication with fiber compatibility. However, origin underlying mechanism remain unclear date. Herein, our first-principle calculations predict identify an intrinsic point defect NGa that owns zero-phonon (ZPL) windows. By tuning triaxial compressive strain crystal structure, ZPL can be modulated from 0.849 eV 0.984 eV, covering windows O band E band. Besides ZPL, formation energy, transition process lifetime under different strains investigated systematically. Our work gives insight into provides effective guidance achieving wavelength-tunable working