First Principle Characterization of the T-center — a Single Spin Quantum Emitter in Silicon

Silicon is one of the most established materials in modern electronics and integrated circuits, with mature technology for the construction of integrated photonics. Though, it has received less attention as a host of color centers, mainly due to its relatively small bandgap making deep centers emitting near telecom range less likely. However, recently, studies on radiation damage centers have found that the interstitial carbon and hydrogen cluster, called the T-center, not only emits in the telecom O-band, but also retains an optically addressable electron and nuclear spin with considerable coherence times[1]. The implications for future silicon-based quantum devices warrant a thorough investigation of the physics of this defect. Here, we present a first-principles characterization of the T-center in silicon. We examine the electronic structure of the defect, including its optical and spin properties in addition to stability and vibrational properties of the emitter ground state, and discuss this in the light of the recent experimental developments.<br/><br/>[1] L. Bergeron, C. Chartrand, A. T. K. Kurkjian, K. J. Morse, H. Riemann, N. V. Abrosimov, P. Becker, H.-J. Pohl, M. L. W. Thewalt, and S. Simmons, PRX Quantum 1, 020301 (2020).