Title
Braiding of edge states in narrow zigzag graphene nanoribbons: Effects of third-neighbor hopping on transport and magnetic properties
Date Issued
20 July 2018
Access level
open access
Resource Type
research article
Author(s)
Abstract
We study narrow zigzag graphene nanoribbons (ZGNRs), employing density functional theory (DFT) simulations and the tight-binding (TB) method. The main result of these calculations is the braiding of the conduction and valence bands, generating Dirac cones for noncommensurate wave-vectors k- . Employing a TB Hamiltonian, we show that the braiding is generated by the third-neighbor hopping. We calculate the band structure, the density of states, and the conductance; new conductance channels are opened, and the conductance at the Fermi energy assumes integer multiples of the quantum conductance unit Go=2e2/h. We also investigate the satisfaction of the Stoner criterion by these ZGNRs. We calculate the magnetic properties of the fundamental state, employing the random-phase approximation and employing local spin-density approximation (LSDA) (spin-unrestricted DFT) we confirm that ZGNRs with N=(2,3) do not satisfy the Stoner criterion and as such, the magnetic order could not be developed at their edges. These results are confirmed by both tight-binding and LSDA calculations.
Volume
98
Issue
4
Language
English
OCDE Knowledge area
Física de la materia condensada
Subjects
Scopus EID
2-s2.0-85050485640
Source
Physical Review B
ISSN of the container
24699950
Sponsor(s)
We thank CAPES and CNPq for support for this work. J.H.C. and M.S.F. also thank Prof. G. B. Martins, Prof. M. Guassi, and Prof. G. Diniz for helpful discussions. We thank for the computational facilities to the HPC/UFABC and SAMPA group.
Sources of information:
Directorio de Producción Científica
Scopus