Li Zuanyi, Qian Haiyun, Wu Jian, Gu Bing-Lin, Duan Wenhui
Department of Physics, Tsinghua University, Beijing 100084, People's Republic of China.
Phys Rev Lett. 2008 May 23;100(20):206802. doi: 10.1103/PhysRevLett.100.206802. Epub 2008 May 20.
The intrinsic transport properties of zigzag graphene nanoribbons (ZGNRs) are investigated using first-principles calculations. It is found that although all ZGNRs have similar metallic band structure, they show distinctly different transport behaviors under bias voltages, depending on whether they are mirror symmetric with respect to the midplane between two edges. Asymmetric ZGNRs behave as conventional conductors with linear current-voltage dependence, while symmetric ZGNRs exhibit unexpected very small currents with the presence of a conductance gap around the Fermi level. This difference is revealed to arise from different coupling between the conducting subbands around the Fermi level, which is dependent on the symmetry of the systems.
使用第一性原理计算研究了锯齿形石墨烯纳米带(ZGNRs)的本征输运性质。研究发现,尽管所有的ZGNRs都具有相似的金属能带结构,但在偏置电压下它们表现出明显不同的输运行为,这取决于它们相对于两条边缘之间的中平面是否镜像对称。不对称的ZGNRs表现为具有线性电流-电压依赖性的传统导体,而对称的ZGNRs在费米能级附近存在电导间隙时表现出意想不到的非常小的电流。这种差异被揭示是由于费米能级附近导电子带之间不同的耦合引起的,这取决于系统的对称性。