Abstract
AbstractUsing the density functional calculations for a designed material structure, we obtained a modified graphene structure on a SrO(111) oxygen surface as a self‐consistent stable solution. The structure is easily realized by placing graphene on the substrate and is stable with a reaction energy of 4.6 eV per a surface unit cell. All surface oxygen possess carbon‐oxygen covalent bondings. Determined electronic density of states shows appearance of two shallow acceptor bands of embedded edge states above the filled SrO bands.These in‐gap states have non‐bonding character because an effective AB‐bipartite lattice of the π network is formed in the oxidized graphene. When the lower band is partially filled, each localized orbital can acts as a quantum dot with a spin 1/2. Possible density of the dots canreach 2 × 1014 [cm–2], which amounts to 200 terabits per 1 cm2. We show a clue that a magnetic solution is obtained, when the upper flat band is half‐filled, indicating effective realization of flat‐band ferromagnetism (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
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