2010/01/08 by D. Soriano, David Soriano, F. Muñoz-Rojas +3 · 4 citations
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Advancements in Battery Materials #Atom (system on chip) #Atomic orbital #Chemistry #Computational chemistry #Condensed matter physics #Coupling (piping) #Density functional theory #Ferromagnetism #Graphene #Graphene nanoribbons #Graphene research and applications #Magnetic field #Magnetic moment #Magnetism #Magnetoresistance #Materials science #Nanotechnology #Physics #Quantum and electron transport phenomena #Quantum mechanics #Spin (aerodynamics) #Spintronics #cond-mat.mes-hall
paper · pdf · doi:10.1103/physrevb.81.165409
published as Phys. Rev. B 81, 165409 (2010)
arxiv created 2010/01/08 · openalex publication_date 2010/04/05 · arxiv updated 2015/05/14 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We show how hydrogenation of graphene nanoribbons at small concentrations can open venues toward carbon-based spintronics applications regardless of any specific edge termination or passivation of the nanoribbons. Density-functional theory calculations show that an adsorbed H atom induces a spin density on the surrounding \ensuremathπ orbitals whose symmetry and degree of localization depends on the distance to the edges of the nanoribbon. As expected for graphene-based systems, these induced magnetic moments interact ferromagnetically or antiferromagnetically depending on the relative adsorption graphene sublattice, but the magnitude of the interactions are found to strongly vary with the position of the H atoms relative to the edges. We also calculate, with the help of the Hubbard model, the transport properties of hydrogenated armchair semiconducting graphene nanoribbons in the diluted regime and show how the exchange coupling between H atoms can be exploited in the design of novel magnetoresistive devices.