PyPhotonics: A python package for the evaluation of luminescence properties of defects
Published: 10 January 2022| Version 1 | DOI: 10.17632/vy4ccz4hxz.1
The prediction of the photoluminescence line-shape of defect systems from first principles is becoming an important tool for the discovery of quantum emission defects in semiconductors. Using a sequence of density functional theory calculations based on the VASP code, PyPhotonics calculates the Huang-Rhys factor and plots the photoluminescence line-shape of the defect by processing the VASP output.
Condensed Matter Physics, Computational Physics, Density Functional Theory