High-throughput identification of spin-photon interfaces in silicon
- URL: http://arxiv.org/abs/2303.01594v1
- Date: Thu, 2 Mar 2023 21:35:17 GMT
- Title: High-throughput identification of spin-photon interfaces in silicon
- Authors: Yihuang Xiong and C\'eline Bourgois and Natalya Sheremetyeva and Wei
Chen and Diana Dahliah and Hanbin Song and Sin\'ead M. Griffin and Alp
Sipahigil and Geoffroy Hautier
- Abstract summary: We use first principles computational screening to identify spin-photon interfaces among more than 1000 substitutional and interstitial charged defects in silicon.
We evaluate the most promising defects by considering their optical properties, spin multiplicity, and formation energies.
We identify three new promising spin-photon interface as potential bright emitters in the telecom band: $rm Ti_i+$, $rm Fe_i0$, and $rm Ru_i0$.
- Score: 5.412164094894868
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: Color centers in host semiconductors are prime candidates for spin-photon
interfaces that would enable numerous quantum applications. The discovery of an
optimal spin-photon interface in silicon would move quantum information
technologies towards a mature semiconductor technology. However, the space of
possible charged defects in a host is very large, making the identification of
promising quantum defects from experiments only extremely challenging. Here, we
use high-throughput first principles computational screening to identify
spin-photon interfaces among more than 1000 substitutional and interstitial
charged defects in silicon. We evaluate the most promising defects by
considering their optical properties, spin multiplicity, and formation
energies. The use of a single-shot hybrid functional approach is critical in
enabling the screening of a large number of defects with a reasonable accuracy
in the calculated optical and electronic properties. We identify three new
promising spin-photon interface as potential bright emitters in the telecom
band: $\rm Ti_{i}^{+}$, $\rm Fe_{i}^{0}$, and $\rm Ru_{i}^{0}$. These
candidates are excited through defect-bound excitons, stressing the importance
of considering these type of defects in silicon if operations in the telecom
band is targeted. Our work paves the way to further large scale computational
screening for quantum defects in silicon and other hosts.
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