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QuantumATK => General Questions and Answers => Topic started by: TARUNATTRI1398 on April 17, 2020, 19:38

Title: Bandstructure of graphene
Post by: TARUNATTRI1398 on April 17, 2020, 19:38

After doping of graphene i calculate the bandstructure and the bangap opens at dirac point but the valence band  crosses fermi level but donot overlap conduction. How classify this material as semiconductor or semimetal or dengerate semiconductor or metal. i attach that Bandstructure

One thing more I am learning this  software and can anybody tell how get theoritical aspect DFT LCAO and NEGF theory like  some good books or research papers

Title: Re: Bandstructure of graphene
Post by: abhishek77492652 on April 17, 2020, 23:32

For NEGF you can go through the lecture series by Prof. Supriyo Datta (Purdue University).
For a better understanding in the DFT you can refer some books like DENSITY FUNCTIONAL
THEORY by DAVID S. SHOLL.
 Regards,
Abhishek Kumar