Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

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

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J. Yuan and Ke Wang contributed equally to this work.
Version 1 : Received: 20 March 2023 / Approved: 21 March 2023 / Online: 21 March 2023 (01:44:51 CET)

A peer-reviewed article of this Preprint also exists.

Yuan, J.; Wang, K.; Hou, Y.; Chen, F.; Li, Q. First-Principle Prediction of Stress-Tunable Single-Photon Emitters at Telecommunication Band from Point Defects in GaN. Photonics 2023, 10, 544. Yuan, J.; Wang, K.; Hou, Y.; Chen, F.; Li, Q. First-Principle Prediction of Stress-Tunable Single-Photon Emitters at Telecommunication Band from Point Defects in GaN. Photonics 2023, 10, 544.

Abstract

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

Keywords

single-photon emitters; atom defect; first principle calculations; telecommunication band; stress

Subject

Physical Sciences, Optics and Photonics

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