Open AccessElectronic properties of doped hexagonal graphene
Author(s) -
Tian Wen,
Yuan Peng-Fei,
Yu Zhuo-Liang,
Tao Bin-Kai,
Hou Sen-Yao,
Ye Cong,
Zhenhua Zhang
Publication year - 2015
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.64.046102
Subject(s) - zigzag , materials science , graphene , doping , hexagonal crystal system , condensed matter physics , nanotechnology , chemical physics , optoelectronics , crystallography , physics , chemistry , geometry , mathematics
Zigzag- and armchair-edged hexagonal graphenes are sandwiched between two Au electrodes to construct molecular nanodevices, and the effects of the orderly and locally doped with B, N, and BN for such graphene nanoflakes are considered, respectively. Based on the first-principles method, the electronic transport properties of these devices are investigated systematically. Our calculated results show that the using of B and BN to dope armchair-edged hexagonal graphenes can modulate the electronic transport properties significantly. Intrinsic and doped zigzag-hexagonal graphenes presents a semiconductoring behavior, and when it is doped with N and BN, there appears a negative differential resistance (NDR) phenomenon, especially for N-doping, and a very obvious NDR can be observed in zigzag-edged hexagonal grapheme: this might be important for developing molecular switches. The underlying causes for these findings are clearly elucidated by the transmission features and the doping-induced changes in electronic properties of a hexagonal graphene.