Hey Dear,
It would be great if someone can help me to understand MoS2 bandstructure and the rest of 2D materials theory.
You are wondering what I am looking for? Well, we know Monolayer MoS2 is n-type So, how I got right bandgap value but p-type. ? if I am right n-type or p-type structure means Ef located near conduction or valence band, but My graph shows Ef located in the middle. why?
I used 1.1.1 to get MoS2 bandstructre. LDA-PZ
If you need extra information please let me know.
Thanks in advanced.