Browsing by Author "Gordon, L."
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Item Defects as qubits in 3C- and 4H-SiC(American Physical Society, 2015-07-20) Gordon, L.; Janotti, Anderson; Van de Walle, Chris G.; L. Gordon, A. Janotti, and C. G. Van de Walle; Janotti, AndersonWe employ hybrid density functional calculations to search for defects in different polytypes of SiC that may serve as qubits for quantum computing. We explore the divacancy in 4H- and 3C-SiC, consisting of a carbon vacancy adjacent to a silicon vacancy, and the nitrogen-vacancy (NV) center in 3C-SiC, in which the substitutional NC sits next to a Si vacancy (NC-VSi). The calculated excitation and emission energies of the divacancy in 4H-SiC are in excellent agreement with experimental data, and aid in identifying the four unique configurations of the divacancy with the four distinct zero-phonon lines observed experimentally. For 3C-SiC, we identify the paramagnetic defect that was recently shown to maintain a coherent quantum state up to room temperature as the spin-1 neutral divacancy. Finally, we show that the (NC-VSi)− center in 3C-SiC is highly promising for quantum information science, and we provide guidance for identifying this defect.