Nisar Muhammad

4 Questions 18 Answers 0 Followers

Questions related from Nisar Muhammad

How can one derive an-isotropic information from an (electronic) band structure?

Electronic Band structure is useful tools for examining a material . One can deriving the band gap, size, position, direct/indirect nature. One can also analyse the character of the bands and...

17 July 2020 6,167 3 View

How to run DOS-Calculations for dense grid?

For thermometric properties we need to take dense grid mesh like 25x25x25 or 40x40x40. I optimized the system with normal KPOINTS. As I increased the grid value the calculation cannot run. How fix...

11 July 2020 7,715 4 View

Correction in Adsorption Energy ?

Dear Expert, Currently I am trying to adsorbed atomic oxygen on semiconductor Surface. I construct 5 Layer and fixed the bottom three (Asymmetric Slab). Adsorption take place successfully. However...

17 April 2020 928 5 View

Coversion of a semiconductor from Indirect to Direct by Doping ?

I did some doping in a semiconductor and I have observed a shift from indirect band gap to direct. Prestine material has indirect band gap while doped material has Direct Band gap. My Question is,...

25 December 2019 6,656 7 View