Calculation of valence(heavy, light and spin-orbit holes) band and conduction (electrons)band using k*p model
In case of having troubles in understanding the program, do ask in comments.
Ido (2020). Calculation of Energy Bands (https://www.mathworks.com/matlabcentral/fileexchange/29888-calculation-of-energy-bands), MATLAB Central File Exchange. Retrieved .
I have downloaded this file today. Found in the programme that it is for calculating the dispersion of valance and conduction bands of GaAs and to plot it. What I understand from the programme is that you have to give value of band gap. Can I use the programme to plot the energy bands of MoS2? Is there anyway to modify the programme to calculate the band gap, if unit cell parameters are given? MoS2 is an indirect band gap material, but turns into a direct band gap material when it is single layer.
Thank you for the script!
I would like use it to calculate the band gap value of semiconductors(WO3)/ semiconductor composites(WO3/TiO2) from UV-Vis reflectance spectra. Do you have any insights about how to do so? Thanks in advance!