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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Spin-orbit coupling prevents spin channel suppression of transition metal atoms on armchair graphene nanoribbons

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Author(s):
Rojas, W. Y. [1, 2] ; Villegas, Cesar E. P. [3] ; Rocha, A. R. [4]
Total Authors: 3
Affiliation:
[1] Univ Fed ABC, Ctr Ciencias Nat & Humanas, Santo Andre - Brazil
[2] Bangor Univ, Sch Elect Engn, Bangor LL57 1UT, Gwynedd - Wales
[3] Univ Privada Norte, Dept Ciencias, Ave Andres Belaunde Cdra 10 S-N, Lima - Peru
[4] Univ Estadual Paulista UNESP, Inst Fis Teor, Rua Dr Bento T Ferraz 271, BR-01140070 Sao Paulo, SP - Brazil
Total Affiliations: 4
Document type: Journal article
Source: Physical Chemistry Chemical Physics; v. 20, n. 47, p. 29826-29832, DEC 21 2018.
Web of Science Citations: 2
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. (AU)

FAPESP's process: 12/24227-1 - Optical properties and charge-transfer process studies for efficient organic photovoltaic cells: ab-initio simulations
Grantee:César Enrique Pérez Villegas
Support type: Scholarships in Brazil - Post-Doctorate
FAPESP's process: 11/11973-4 - ICTP South American Institute for Fundamental Research: a regional center for theoretical physics
Grantee:Nathan Jacob Berkovits
Support type: Research Projects - Thematic Grants