First principles investigation of divacancy in SiC polytypes for solid state qubit application

• We calculated the hyperfine structure and the zero-field splitting parameters of divacancies in 3C, 4H and 6H SiC in the ground state and in the excited state for 4H SiC within the framework of density functional theory. Besides that our calculations provide identification of the defect in different polytypes, we can find some carbon atoms next to the divacancy that of the spin polarizations are similar in the ground and excited states. This coherent nuclear spin polarization phenomenon can be the base to utilize 13C spins as quantum memory.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

Nyckelord

Hyperfine coupling; Optically detected magnetic resonance; Photoluminescence; Solid state quantum bit; Zero-field splitting

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