title: Hydrogenation of Ferrimagnetic Graphene on a Co Surface: Significant Enhancement of Spin Moments by C-H Functionality.
abstract: Using ab initio density functional theory, we present a novel way of simultaneously enhancing the induced magnetic moment and opening up the band gap of a graphene sheet supported on ferromagnetic transition metal surface. Specifically, we have demonstrated that by simply hydrogenating graphene supported on ferromagnetic Co surface at saturation coverage, (i) there is a six-fold increase in the magnitude of the induced magnetic moment compared with the pristine graphene on the Co surface and (ii) for both the spin-up and the spin-down channels there is a band gap opening at the K-point of the Brillouin zone.
authors: †Department of Chemistry and ‡Department of Physics, Indian Institute of Science Education and Research, Pune-411021, India.
authors: Indu
authors: I
authors: Kaul
authors: †Department of Chemistry and ‡Department of Physics, Indian Institute of Science Education and Research, Pune-411021, India.
authors: Niharika
authors: N
authors: Joshi
authors: †Department of Chemistry and ‡Department of Physics, Indian Institute of Science Education and Research, Pune-411021, India.
authors: Nirmalya
authors: N
authors: Ballav
authors: †Department of Chemistry and ‡Department of Physics, Indian Institute of Science Education and Research, Pune-411021, India.
authors: Prasenjit
authors: P
authors: Ghosh
keywords: Co(0001); density functional theory; graphene; interfaces; magnetization; surfaces; van der Waals interaction