Электронная и магнитная структура интеркалированных пленок графена

Abstract

AbstractAb initio calculations of the electron spectrum of the graphene–cobalt–nickel system were performed in the slope of the spin density functional theory (SDFT). Dispersion curves E _σ n (k) are presented; they were used to determine partial and total densities of valence electron states, and also magnetic moments of all atoms in the supercell. Energy position of the “Dirac cone” defined by p _ z states in graphene is shown to depend only slightly on the number of Co layers intercalated into the gap between the cobalt and graphene layers.