Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session G59: First-Principles Simulations of Excited-State Phenomena: Excitons and Bethe-Salpeter Equation II
11:30 AM–2:30 PM,
Tuesday, March 7, 2023
Room: Room 301
Sponsoring
Unit:
DCOMP
Chair: Li Yang, Washington University, St. Louis
Abstract: G59.00013 : The C-center in silicon: an L-band emitter with memory*
2:18 PM–2:30 PM
Presenter:
Péter Udvarhelyi
(Wigner Research Centre for Physics)
Authors:
Péter Udvarhelyi
(Wigner Research Centre for Physics)
Anton Pershin
(Wigner Research Centre for Physics)
Péter Deák
(Wigner Research Centre for Physics)
Adam Gali
(Wigner Research Centre for Physics)
We report first-principles calculation results on a similar excitonic defect in silicon, the so-called C-center which emits in the L-band. We use HSE DFT to calculate its singlet ground state and to describe singlet and triplet excitons formed with the CBM. We validate our method by GW and BSE calculations. We also determine the hyperfine, dipolar spin-spin and spin-orbit interaction strengths in the excited triplet state, crucial for the manipulation of the qubit. We report the symmetry-allowed spin-orbit couplings in the triplet state, revealing an ISC preferentially populating the 0 sublevel, from where phosphorescence emission leads to the ground state. ODMR contrast emerges owing to the much longer lifetimes of the other magnetic levels as obtained in our calculations.
Based on these results, we detail quantum protocols for the initialization, storage and readout of the nuclear spin. Owing to the excited triplet state, the nuclear spin quantum memory is expected to show large coherence time.
*We acknowledge the Hungarian NKFIH grant No. KKP129866 and the support for the Quantum Information National Laboratory from the Ministry of Innovation and Technology of Hungary, and the EU H2020 project QuanTELCO Grant No. 862721.
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