First-principles computations of the Stark shift of a defect-bound exciton: The case of the T center in silicon
The T center in silicon is a promising defect for quantum information science. Here, the authors use density functional theory to study the Stark shift of its zero-phonon line. Understanding Stark shift effects in quantum defects is important for their spectral diffusion. The work points to the technical challenge of dealing with bound exciton defects with DFT and stresses the importance of beyond first-order effects in these systems with delocalized wave functions.
Authors
- Yihuang Xiong (ORCID: https://orcid.org/0000-0001-7809-6047)
- Geoffroy Hautier (ORCID: https://orcid.org/0000-0003-1754-2220)
- Sinéad M. Griffin (ORCID: https://orcid.org/0000-0002-9943-4866)
- Louis Alaerts (ORCID: https://orcid.org/0000-0002-1856-3712)
Institutions
- Dartmouth College (US)
- Lawrence Berkeley National Laboratory (US)
- Foundry (United Kingdom) (GB)
- Dartmouth Hospital (GB)
- Molecular Foundry
- Rice University (US)
Publication Details
- Journal
- Physical review. B./Physical review. B
- Published
- 2025-08-15
- DOI
- https://doi.org/10.1103/b59h-4wcn
- Citations
- 1
- Primary Topic
- Molecular Junctions and Nanostructures
- Type
- article
- Field-Weighted Citation Impact
- 0.73
Funders
- U.S. Department of Energy
- National Energy Research Scientific Computing Center