Theoretical Calculation of Shrinking and Stretching in Bond Structure of Monolayer Graphite Flake via Hole Doping Treatment

摘要

This paper deals with the physics of monolayer graphite, with a particularfocus on the electronics and structural properties. In contrast to the previouselectronic band structure of doped single-walled carbon nanotube calculation,where just a ballistic graphite plate is considered, here for the carbon bondslength alteration is calculated in terms of hole doping. It is found that dopedholes play crucial roles on the bond structure compared to that obtained nodoping configurations and it changes as hole doping increasing.