Dear researchers,
I use tauc plot to calculate Bg from absorbtion spectra of polymeric thin film using origin pro 9, what about gaussian 09 program can i used it to calculate Bg? If you have another method i will be appreciated
Hi Ahmed Amer Flayeh
There is an older discussion on this topic with detailed answers:
https://www.researchgate.net/post/Which_is_the_best_method_or_technique_to_determine_bandgap_of_material#:~:text=Optical%20ellipsometry%20spectroscopy%2C%20UV-V,to%20calculate%20the%20bandgap%20energy.
If you are working with optical properties...go for elipsometry...by fitting you can fing the details.
Dear all, please check the following links and attached files. My Regards
https://tinyurl.com/2efm7fm9
https://tinyurl.com/4hdncyxc
https://doi.org/10.1021/acs.jpclett.8b02892
https://doi.org/10.1016/j.heliyon.2019.e01505
Hi;
Please check the following links:
https://www.researchgate.net/post/How-do-I-calculate-bandgap-of-particles-from-uv-vis-absorption-spectra-of-known-concentration
https://www.researchgate.net/post/How-to-calculate-the-optical-band-gap-from-the-tauc-plot-ie-Energy-bandgap-vs-alphahv2
https://www.researchgate.net/post/How_can_I_calculate_the_band_gap_from_UV-Vis_absorption_spectra_of_thin_films_consisting_of_TiO2_and_other_metal_complexes
With my best regards
Ahmed Amer Flayeh Tauc used an equation in 1968 to calculate the absorption edges (bandgaps) of amorphous Ge and Si from their absorption data.
(αhν)γ=A(hν-Eg)
In this equation, α is the absorption coefficient, h is Planck’s constant, υ is the frequency of the incident photon, A is a proportionality constant (which is determined by the index of refraction, electron, and hole effective masses; however, it is usually taken as 1 for amorphous materials), and Eg is the bandgap energy. The important term is the exponent γ, which denotes the nature of the electronic transition, that is, when γ=2 it is a direct allowed transition, and when it is equal to 1/2, it is an indirect allowed transition. For γ=2/3 it is a direct forbidden transition, and for γ=1/3 an indirect forbidden transition. Typically, the allowed transitions dominate the basic absorption processes, giving either direct or indirect transitions.
Thus, the basic procedure for a Tauc analysis is to acquire optical absorbance data for a sample in question that spans a range of energies from below the bandgap transition to above it.
Plotting the (αhν)γ versus (hν) is a matter of testing γ=2 or γ=1/2 to compare which provides the better fit and thus identifies the correct transition type.
I have provided the Template file (Origin file) in the video description. Thanks
https://youtu.be/LLESVSsZmlg
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