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Silicon Vacancy in 4H-SiC: Many-body Electronic Structure

Najafi Ivaki, Moein | 2017

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 49941 (04)
  4. University: Sharif University of Technology
  5. Department: Physics
  6. Advisor(s): Vesaghi, Mohammad Ali
  7. Abstract:
  8. The silicon vacancy in silicon carbide is a strong emergent candidate for applications in quantum information processing. 4H, 6H and 3C polytypes of SiC all host coherent and optically addressable defect spin states. Electron paramagnetic resonance (EPR) and optically detected magnetic resonance (ODMR) investigations suggest that silicon vacancy point defects in SiC possess properties similar to those of the NV center in diamond. We provide a new theoretical frame to explain a wider range of experimental results. Employing a proposed generalized Hubbard model, with the help of electronic structure programs, DFT, second quantization, and various computational approaches, we obtain new insights on this special vacancy .Our central point of attention is folding in two main approaches for finding the Hubbard parameters as well as wave functions. To obtain electronic and spin properties of the system, we combine these two, taking into account all the governing interactions and possibilities for the system to relax in itself. The properties include: spatial symmetries, ground and excited states spin, and transition energy of optical transition
  9. Keywords:
  10. Silicon Carbide ; Semiconductors ; Hubbard Model ; Density Functional Theory (DFT) ; Quantum Computation ; Vacancies (Crystal Defects) ; Spin Qubit

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