Abstract
A first-principles band calculation is performed on monolayer graphite on a TiC(111) surface. Occupied π bands of the monolayer graphite are similar to those of a bulk graphite and are lowered by 2 eV. Unoccupied π * bands are largely affected and split into bonding and antibonding bands due to a hybridization effect with d-bands of top-layer Ti. A calculated local density of states shows a 2 × 2 superstructure of graphite lattice, which explains the shorter period of the moirépattern observed in scanning tunneling microscopy.
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