I still have a doubt regarding the theoretical values? Is energy difference between HOMO and LUMO is the optical band energy on compared with Tauc plot?
Dear Anjali Krishna G,
You may want to review the following sources:
https://www.researchgate.net/publication/234967121_Computational_band-structure_engineering_of_III-V_semiconductor_alloys/figures?lo=1
https://www.britannica.com/science/band-theory
Hello Anjali,
The bandgap not only corresponds to the HOMO-LUMO difference but to more orbitals. In bandgap there are many additional orbitals to consider which, together with HOMO and LUMO, are responsible for all transitions of the material.
Anjali Krishna G ,
To get more insights, you may find theories related to optical bandgap and photonic bandgap. I hope this answer will help you. Best luck with your research !!
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