DefectPL
A comprehensive toolkit for calculating and visualizing photoluminescence spectra of quantum defects. It also supports the analysis of other optical properties of point defects in insulators and semiconductors.
⚠️ This package is currently under active development.
📌 Purpose
DefectPL is designed to compute the photoluminescence intensity of point defects in solids using the methodology described in New J. Phys. 16 (2014) 073026. It also provides tools to calculate and plot related quantities such as:
- Partial Huang-Rhys factors
- Huang-Rhys factor
- Debye-Waller factor
- Inverse participation ratios (IPR)
- Localization ratios
- Vibrational displacements
- Effect of Isotope substitution
- Photoluminescence Spectra in the High Huang-Rhys Factor Regime
If you use this package in your research, please consider citing:
Carbon with Stone-Wales defect as quantum emitter in h-BN, Phys. Rev. B 111, 104109 (2025)
🤝 Contributing
Contributions, suggestions, and bug reports are welcome!
If you encounter any issues, please open an issue or submit a pull request.
👤 Author
Main Maintainer: Shibu Meher, Manoj Dey