First-principles Study on Electron Transport Property through Graphene Strips

摘要

We perform first-principles calculations for the electron-transport properties of graphene strips suspended between semi-infinite electrodes. The transport properties of graphene strips depending on the type of defects and the transport direction are investigated. The π states of carbon atoms play a main role in the electron transport, while the σ states also contribute to the transport through a graphene strip with a vacancy. Additionally, the electron-transport paths in the armchair direction are much affected by the existence of doped impurity atoms compared with those in zigzag direction.