Script for calculating the temperature-dependent infrared dielectric tensor of α-quartz

The attached Python Jupyter Notebook and MATLAB script provide the temperature-dependent infrared dielectric tensor of α-quartz (SiO₂).

Temperature-dependent phonon frequencies and damping rates are determined using power law curve fits based on low-temperature data from the associated publication by Winta, Wolf, and Paarmann (2019), and high-temperature data from Gervais and Piriou, Phys. Rev. B, 11 (1975). The dielectric functions are then evaluated using a four-parameter semi-quantum (FPSQ) model and can be exported to a CSV file.