B、N掺杂4-ZGNR电子输运性质的理论计算
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摘要:
运用密度泛函理论结合非平衡格林函数的方法,对锯齿型石墨烯纳米带4-ZGNR掺杂B、N原子的电子输运进行了计算.结果得到在0～1.0V的电压范围内,4-ZGNR及其分别掺杂B、N原子3种纳米器件的电流-电压曲线具有明显的非线性关系;掺杂B、N对4-ZGNR费米能级附近电子的输运起到了一定抑制作用,在一定能量区域的电子存在完全共振背散射;4-ZGNR掺杂B原子后表现出负微分电阻现象.
By the first-principles calculations based on density functional theory and non-equilibrium Green’s function method,the electronic transport properties of zigzag graphene nanoribbon(4-ZGNR)and it doped with boron or nitrogen atoms are investigated.Results show that there is an obvious nonlinear current-voltage relationship for the three nano-devices in the voltage range of 0-1.0 V.It is also found that doping boron or nitrogen atoms may reduce the transport effect of electrons near the 4-ZGNR fermi level and there exists a complete resonant backscattering in certain energy regions.4-ZGNR doped with boron atoms exhibits obvious negative differential resistance.
作者:
柳福提 张淑华 程翔 张声遥
Liu Futi;Zhang Shuhua;Cheng Xiang;Zhang Shengyao(College of Physics and Electronic Engineering,Yibin University,Yibin 644007,China;College of Chemistry and Chemical Engineering,Yibin University,Yibin 644007,China)
机构地区:
宜宾学院物理与电子工程学院 宜宾学院化学与化工学院
出处:
《betway官方app 学报：自然科学版》 CAS 北大核心 2019年第2期36-40,共5页
基金:
宜宾学院重点科研项目(2015QD14) 计算物理四川省高等学校重点实验室开放课题基金(JSWL2018KF02)
关键词:
石墨烯纳米带 掺杂 电子输运
graphene nanoribbon doping electronic transport
分类号:
O488 [理学—固体物理]
