边缘掺杂对应力作用下锯齿型石墨烯纳米带I-V特性的影响

Influence of Edge-Doping on I-V Curve of Zigzag-Edge Graphene Nanoribbons under Uniaxial Strain

利用第一性原理计算得到边缘n-型氮N和p-型氧O掺杂的6-锯齿型石墨烯纳米带在外加非轴向应力作用下的I-V特性曲线.研究结果表明,边缘掺杂在低偏压条件(VBias<0.5 V)下增强锯齿型石墨烯纳米带的导电能力,在偏压大于1.0 V后将减弱系统的导电能力;外加非轴向应变却能在较宽的偏压范围内增强系统的导电能力.该结果对基于锯齿型石墨烯纳米带的纳米电子、光电子器件的研究和设计具有较重要的意义.

A systematic first-principles calculations on the I-V curve of n-type nitrogen（N） and p-type oxygen（O） edge dopant 6-zigzag-edge graphene nanoribbons（6-ZGNR） under an external uniaxial strain was obtained.It is demonstrated that the conducting ability of 6-ZGNR may be enhanced a little by edge doping in the VBias0.5 V case,and it will be suppressed much in the case of VBias1.0 V,while the external uniaxial strain strengthens the conducting ability of 6-ZGNR in a wide bias voltage range.The results are proposed to be useful in the design of nanoscale electronic/optoelectronic devices based on ZGNRs.