Title
Spin-orbit coupling prevents spin channel suppression of transition metal atoms on armchair graphene nanoribbons
Date Issued
01 January 2018
Access level
metadata only access
Resource Type
journal article
Publisher(s)
Royal Society of Chemistry
Abstract
We investigate the spin-dependent electronic and transport properties of armchair graphene nanoribbons including spin-orbit coupling due to the presence of nickel and iridium adatoms by using ab initio calculations within the spin-polarized density functional theory and non-equilibrium Green's function formalism. Our results indicate that the intensity of the spin-flip precession is a direct consequence of the relaxed adsorption sites of the adatoms. We point out that d orbitals of Ni and Ir result in strong dependence on the spin-conserved and spin-flip transmission probabilities. In particular, we show that the presence of spin-orbit coupling can lead to an enhancement of the transmission probabilities especially around resonances arising due to weak coupling with specific orbitals.
Start page
29826
End page
29832
Volume
20
Issue
47
Language
English
OCDE Knowledge area
Química física Astronomía
Scopus EID
2-s2.0-85058193742
PubMed ID
Source
Physical Chemistry Chemical Physics
ISSN of the container
14639076
Sponsor(s)
This research received financial support from the Brazilian agencies CAPES, CNPq and FAPESP grant number 2012/ 24227-1. A. R. R. acknowledges the support from the ICTP-SAIRF (the FAPESP project 2011/11973-4) and the ICTP-Simons Foundation Associate Scheme. This work uses the computational resources from the GRID-UNESP and the CENAPAD/SP.
Sources of information: Directorio de Producción Científica Scopus