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 B40: 2D Magnetics II
11:30 AM–1:30 PM,
Monday, March 6, 2023
Room: Room 232
Sponsoring
Unit:
DMP
Chair: Emily Been, Stanford University
Abstract: B40.00010 : Database of Computed Properties for Color Center Defects in Silicon*
1:18 PM–1:30 PM
Presenter:
Vsevolod Ivanov
(Lawrence Berkeley National Lab)
Authors:
Vsevolod Ivanov
(Lawrence Berkeley National Lab)
Alexander Ivanov
(Brown University)
Jacopo Simoni
(Lawrence Berkeley National Laboratory)
Prabin Parajuli
(University of California, Merced)
Liang Tan
(Lawrence Berkeley National Laboratory)
Thomas Schenkel
(Lawrence Berkeley National Laboratory)
applications in quantum information science (QIS), including quantum sensing, single-photon sources,
and integrated quantum communication between quantum computer nodes. Several well-studied
defects such as the G-center, W-center, and T-center, possess some of the necessary attributes for these
applications, including narrow linewidths, emission in the telecommunications band, long electron spin
coherence times, and coupling between spin and optical degrees of freedom. Despite this, no known
defect is perfectly suitable for QIS applications, and in fact different devices can require defects with
expressly distinct sets of properties. We report the publication of a searchable online quantum defect
database containing the computed properties of over 5000 distinct silicon defect structures. Formation
energies, defect energy levels, ground and excited spin states, zero phonon lines, and electric dipole
matrix elements are provided for each defect, which are then used to screen for candidate defects with
emission within the telecommunications band, non-trivial spin state, and strong optical coupling.
Additionally, a machine learning approach is applied to predict defect properties directly from structural
data.
*This work was supported by the Office of Fusion Energy Sciences and the Molecular Foundry, a DOEOffice of Science User Facility, supported by the Office of Science of the U.S. Department of Energyunder Contract No. DE-AC02-05CH11231.
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