The electric properties of Ti-doped monolayer grahpene
歐懿中1*, 林明發1
1Department of Physics, National Cheng Kung University, Tainan City, Taiwan
* presenting author:歐懿中,
The electric properties of Ti-doped monolayer graphene (MG) are investigated by first principle calculation. MG, built from hexagonal configurations based on carbon atoms, exhibits two linear bands intersecting at the Fermi level. It produces a vanishing density of states (DOS) and makes MG an exotic zero-gap semiconductor. After doping Ti atoms on MG, the bonds are formed between the Ti atoms and MG. Their strong effects on the electric properties include the Fermi velocity, the energy gap and newly generated band-edge states. Particularly, there are Ti-atom-dominated flat energy bands near the Fermi level, a feature meaning that the Ti atoms are localized on MG. Moreover, the density of doping Ti atoms modifies the electric properties. As the dopant density increases, the Ti atoms move closer to each other and form the bonds. A situation favors a more stable structure, since the total energy becomes lower. Furthermore, these features of energy bands are reflected in the DOS, a revelation also being discussed in detail.

Keywords: graphene, electric property, Ti-doped