Process UV-Vis absorption spectra, make Tauc transformation for direct/indirect allowed transition, extract band gap values for corresponding transition type, and plot figures

This package requires:

• pandas
• NumPy
• Matplotlib
• SciPy

absorption_processing should be used within a directory containing your raw txt files. The files could be with comma or space separatad values. These files should have the following format:

"Wavelength nm." "Abs."
X1 Y1
X2 Y2
 .  .
 .  .
 .  .

where Xi and Yi are the recorded wavelengths and absorption coefficients (Kubelka-Munk function), respectively. If you have reflectance data instead of absorption coefficients, the program will ask you and make the necessary Kubelka-Munk transformation.

Within the directory containing txt files, run:

absorption_processing.py

The program asks to specify the semiconductor type. Enter 0 for direct; 1 for indirect or if you do not have any information about the type of semiconductor. The program creates txt file with data in 5 columns: Wavelength (nm), Absorbance, Energy, eV, Direct transition, Indirect transition, for further plotting of the figures. The corresponding figures of the absorption spectra and Tauc plot for direct/indirect transition for each sample are generated. The band gap value for direct/indirect allowed transition will be extracted.

There are other codes that can make Tauc transformation and band gap extraction. The best code depends on your use case.

• You may find taucauto for automatically extracting the bandgap of a material by the Tauc method.
• A detailed explanation of the Tauc transformation process and band gap extraction could be found here Band Gap Calculation with Python.

👤 Aleksei Krasnov

• Website: Ph.D. Aleksei Krasnov
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Contributions, issues, and feature requests are welcome!
Feel free to check issues page.