Band engineering of silicon for light emission: First-principles approach to the effect of co-doping with nitrogen and fluorine |
| |
| Authors: | Tatsuo Schimizu Kazushige Yamamoto Fumihiko Aiga |
| |
| Institution: | 1. Department of Neurology, Xijing Hospital, Fourth Military Medical University, Xi''an, China;2. Department of Neurology, Baoji Traditional Chinese Medicine Hospital, Baoji, China;3. Department of Neurology, First Affiliated Hospital, Xi''an Jiaotong University, Xi''an, China;4. Department of Neurology, Xi''an Pediatric Hospital, Xi''an Jiaotong University, Xi''an, China;5. Department of Neurology, Second Hospital of Lanzhou University, Lanzhou, China;6. Department of Pediatric Neurology and Neurorehabilitation, First Hospital of Jilin University, Changchun, China;7. Department of Neurology, Xi''an Gaoxin Hospital, Xi''an, China |
| |
| Abstract: | A Si-based light emitter has long been the final key component for electronic and photonic integrated circuits on Si, because Si has an indirect band gap. Atomistic and electronic structures and energy gains of formation of possible nitrogen (N) and fluorine (F) complexes in Si have been researched from first-principles, in order to engineer the band structure of Si for light emission. The calculated results show that the substitutional nitrogen NS and bond center fluorine FBC pair complex has large stabilization energy, and that the pair-complex-doped Si has direct band gap, which is reduced with respect to that of Si. These results lead to the possibilities of doping-based engineering of Si optical properties with introduction of deep-level impurity and charge compensation. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
