Hyperfine tensor and defect structure of T center
Authors/Creators
Description
## About the dataset
This record provides all data to reproduce the hyperfine coupling analysis of a T center defect in silicon. The results are reported in "Long-lived entanglement of a spin-qubit register in silicon photonics". DOI: https://doi.org/10.48550/arXiv.2504.15467
## Files included
- **hyperfine_terms.npz**: NumPy archive containing three float arrays (`Fermi_contact`, `Dipolar`, `Hyperfine`) saved via `numpy.savez`.
- **POSCAR**: VASP format structure file specifying a 1002‑atom silicon supercell with a T center defect.
## Computational methods
- Electronic structure calculations were performed with VASP using the HSE06 screened hybrid functional.
## Usage & reuse
1. **Load hyperfine data in Python**
```python
import numpy as np
data = np.load('hyperfine_terms.npz')
Fc = data['Fermi_contact']
Dip = data['Dipolar']
Hf = data['Hyperfine']
2. **Load defect structures using pymatgen**
```python
from pymatgen.io.vasp import Poscar
poscar = Poscar.from_file('POSCAR')
structure = poscar.structure
Files
Files
(327.7 kB)
| Name | Size | Download all |
|---|---|---|
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md5:8f02a71f68902cc105af1fc543e796b5
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217.2 kB | Download |
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md5:976ddbb3584d9476c7896862acc370d9
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110.5 kB | Download |
Additional details
Identifiers
- arXiv
- arXiv:2504.15467
Funding
- United States Department of Energy
- DE-SC0022289
Dates
- Created
-
2025-04-21
Software
- Programming language
- Python