| Full text | |
| Author(s): |
Total Authors: 3
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| 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
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| 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 Opportunities: | Scholarships in Brazil - Post-Doctoral |
| FAPESP's process: | 11/11973-4 - ICTP South American Institute for Fundamental Research: a regional center for theoretical physics |
| Grantee: | Nathan Jacob Berkovits |
| Support Opportunities: | Research Projects - Thematic Grants |