Surface states characterization in the strongly interacting graphene/Ni(111) system

Abstract

By combining nonlinear photoemission experiments and density functional theory calculations, we study the modification of Ni(111) surface states induced by the presence of graphene. The main result is that graphene is able to displace the Ni(111) surface states from the valence band close to the Fermi level uncovering the d-band of Ni. The shift of the surface states away from the Fermi level modifies their k-dispersion and the effective mass. The unoccupied image state of graphene/Ni(111) has been also characterized. The ab initio calculations give a theoretical insight into the electronic properties of graphene/Ni(111) in the two stable top-fcc and top-bridge phases showing that the interface properties are poorly dependent on the stacking. The screening properties to an externally applied electric field are also discussed.

Screening in Graphene: Response to External Static Electric Field and an Image-Potential Problem

“…Usually, the interface distance between the graphene sheet and the surface atomic layer is such that the conventional single Rydberg series of a whole system is observed. Thus, in the graphene/metal systems where the graphene atomic layer is placed closer to the substrate, only a single series of IPSs was observed [27][28][29][30][31][32][33][34][35][36]. Nevertheless, there are cases where the distance separating the graphene and the top surface atomic layer is sufficiently large so as to realize the two lowest members of the graphene double-IPS series.…”

Electronic Structure and Magnetic Properties of Graphene/Ni3Mn/Ni(111) Trilayer

“…Adsorption of graphene on Ni(111) strongly modifies the surface electronic structure of the Ni substrate and, as was shown, leads to the shift of the surface states of Ni(111) into the energy range above E F . The two-dimensional (2D) ARPES intensity map for gr/Ni(111) (Figure a) shows undressed surface projections of the Ni energy bands: d ↓ disperses from E – E F = −1.4 eV at Γ to E F at k ∥ ≈ 1 Å –1 and sp ↓ crosses E F at k ∥ ≈ 1 Å –1 . , , After the formation of the thin layer of Ni 3 Mn at the gr/Ni(111) interface, the electronic structure is modified as shown in Figure b.…”

“…Adsorption of graphene on Ni(111) strongly modifies the surface electronic structure of the Ni substrate and, as was shown, leads to the shift of the surface states of Ni(111) into the energy range above E F [42]. The 2D ARPES intensity map for gr/Ni(111) ( Fig.…”

Tailoring the spatial-dependent Rashba parameter and spin fluctuations in nanomaterials for improved spin-FET functionality

“…The Generalized Gradient Approximation (GGA) in the scheme of Perdew-Burke-Ernzerhof (PBE) is used to determine the exchange interaction J 0 of Graphene/Nickel (1 1 1) composite. Our computed value of J 0 is − 0.012 eV [15]. The cutoff energy point is 329.3 eV.…”

“…The exchange interaction is valid among the four nearest neighbors. The electrons are separated by r o on average where r o is converted from the Fermi energy in Table 1 [9,15,22]. The Fermi energy and the total number of electrons determine the size of the simulation box (23 nm × 23 nm).…”