Abstract
Based on a first-principles total-energy calculation, we demonstrate the possibility of π electron network design in graphene using atomic Pt adsorbate. The d state of the adsorbed Pt atoms hybridizes with the π state of graphene, which effectively creates a boundary in the two-dimensional π electron network in graphene. By adsorbing Pt atoms along the line parallel to the zigzag direction in graphene, we found that a characteristic flat dispersion band emerges at the zone boundary of the two-dimensional Brillouin zone. This flat dispersion band is partially filled by electrons, which induces a magnetic moment in this system of non-magnetic elements.
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