Title :
Modeling of electronic structure and band gap formation in graphene by B/N doping: First principle study
Author :
Gedam, Nandkishor Husen ; Rout, Bikash
Author_Institution :
Sch. of VLSI & Embedded Syst. Design, NIT Kurukshetra, Kurukshetra, India
Abstract :
Graphene is 2D dimensional material possess unique electronics property with zero band gaps. In this paper we have proposed mechanism based on the first principles study for formation band gap in the graphene. We have doped the graphene with B/N atoms at upper and lower edge. From experimental study it´s proved that when graphene is doped with foreign atoms its affect electronic properties of graphene. Doping the graphene with the B/N atoms introduce band gap 0-0.4951 eV with the gaining the effective mass.
Keywords :
ab initio calculations; boron; doping; effective mass; energy gap; graphene; nitrogen; 2D dimensional material; B-N doping; C:B,N; band gap formation; effective mass; electronic properties; electronic structure; first-principle study; graphene; Atomic measurements; Boron; Carbon; Doping; Effective mass; Graphene; Photonic band gap; effective mass; graphene; zero band gap;
Conference_Titel :
Futuristic Trends on Computational Analysis and Knowledge Management (ABLAZE), 2015 International Conference on
Conference_Location :
Noida
Print_ISBN :
978-1-4799-8432-9
DOI :
10.1109/ABLAZE.2015.7155025