Published April 16, 2025 | Version v1
Dataset Open

Hyperfine tensor and defect structure of T center

  • 1. ROR icon Dartmouth College

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
md5:8f02a71f68902cc105af1fc543e796b5
217.2 kB Download
md5:976ddbb3584d9476c7896862acc370d9
110.5 kB Download

Additional details

Identifiers

Funding

United States Department of Energy
DE-SC0022289

Dates

Created
2025-04-21

Software

Programming language
Python