First-principles study of electronic properties of AB-stacked bilayer armchair graphene nanoribbons under out-plane strain.

Autor: Nguyen, Chuong Van, Hieu, Nguyen Van, Nhan, Le Cong, Phuc, Huynh Vinh, IIyasov, Victor V., Hieu, Nguyen Ngoc
Zdroj: Indian Journal of Physics; Apr2018, Vol. 92 Issue 4, p447-452, 6p
Abstrakt: In this work, we consider the effect of out-plane strain on the electronic properties of AB-stacked bilayer armchair graphene nanoribbons (BAGNRs) using density functional theory. At equilibrium, the interlayer distance of BAGNRs is d0=3.326 Å. Our DFT calculations show that while the dependence of the band gap of 11-BAGNR on interlayer distance d is insignificant, especially in the case of the d, the band gap of 9- and 10-BAGNRs depends strongly on the interlayer distance d. The effect of out-plane strain on band structure, total energy, and total charge density of BAGNRs is also investigated and discussed. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index