Publication

Two-electron states of a group-V donor in silicon from atomistic full configuration interactions

02/05/2018

A Tankasala, J Salfi, J Bocquel, B Voisin, M Usman, G Klimeck, MY Simmons, LCL Hollenberg, S Rogge, R Rahman

Physical Review B, 97, 195301 (2018)

Two-electron states of a group-V donor in silicon from atomistic full configuration interactions

Two-electron states bound to donors in silicon are important for both two qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multi-electron exchange and correlation effects taking into account the full bandstructure of silicon and the atomic scale granularity of a nanoscale device. Excited s-like states of A1-symmetry are found to strongly influence the charging energy of a negative donor centre. We apply the technique on sub-surface dopants subjected to gate electric fields, and show that bound triplet states appear in the spectrum as a result of decreased charging energy. The exchange energy, obtained for the two-electron states in various confinement regimes, may enable engineering electrical control of spins in donor-dot hybrid qubits.

University: UNSW Sydney, University of Melbourne

Authors Centre Participants: Prof. Sven Rogge, Prof. Michelle Y. Simmons AO, Dr. Joseph Salfi

Source: Physical Review B

Publication Type: Refereed Journal article

DOI Link: DOI Link

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