Author Topic: Z-BNNR Bandstructure  (Read 88 times)

0 Members and 1 Guest are viewing this topic.

Offline ainunK

  • Regular ATK user
  • **
  • Posts: 17
  • Country: my
  • Reputation: 0
    • View Profile
Z-BNNR Bandstructure
« on: September 7, 2021, 18:33 »
Hi Sir,

Im currently studying Z-BNNR from this paper "Band Gap Engineering by Carbon doping in Boron Nitride Nanoribbons: First Principle study by Satyendra Singh Chauhan, Shobhna Ferwani".

The attachment files below are the results of Z-BNNR pristine that I tried to follow and study like the one in the paper.  I think i have followed the method steps shown in the paper. Sadly, I didnt get the same bandstructure of pristine Z-BNNR as in paper. Am i missing some importance steps ?

Also I have another question, Sir. What are actually the best calculator for BNNR ?

Sir, Im appreciate if you can guide and advise me what should i do next. Thankyou so much :)