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

Autor(es)

Rojas, W. Y. ^{[1, 2]} ; Villegas, Cesar E. P. ^[3] ; Rocha, A. R. ^[4]

Afiliação do(s) autor(es)

^[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

• Tipo de documento: Artigo Científico
• Fonte: Physical Chemistry Chemical Physics; v. 20, n. 47, p. 29826-29832, DEC 21 2018.
• Citações Web of Science: 2

Resumo

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)

• Processo FAPESP: 12/24227-1 - Estudo das propriedades óticas e de transferência de carga em células fotovoltaicas orgânicas: simulações ab-initio
• Beneficiário: César Enrique Pérez Villegas
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
• Processo FAPESP: 11/11973-4 - ICTP Instituto Sul-Americano para Pesquisa Fundamental: um centro regional para física teórica
• Beneficiário: Nathan Jacob Berkovits
• Modalidade de apoio: Auxílio à Pesquisa - Temático