摘要
模拟金电极晶面指数(111)/(100)对C_(20)富勒烯电子输运性质的影响。计算结果表明,在Au(100)-C_(20)-Au(100)分子结的电流—电压曲线上可观察到新奇的负微分电阻现象,而Au(111)-C_(20)-Au(111)系统的电流随外加偏压的增大持续增长。
This paper investigated the effect of the indices of crystal plane of electrodes on the electronic transport properties of molecular devices by taking C_（20） fullerene molecule as conductor component and semi-infinite Au111/100 as electrodes. The results show that the transport behaviors through molecular devices are closely related to the crystallographic orientation of electrodes. Negative differential resistance NDR in the current-voltage curve can be observed for the Au（100） electrode case but cannot be observed for the Au（111） case.
作者
王丽华
丁秉钧
WANG Li-hua DING Bing-jun(School of Physics ＆ Electronic Science, Shanxi Datong University, Datong Shanxi, 037009 School of Science, Xi＇ an Jiaotong University, Xi＇ an Shaanxi, 710049)
出处
《山西大同大学学报（自然科学版）》
2016年第4期20-23,共4页
Journal of Shanxi Datong University(Natural Science Edition)
基金
山西省自然科学基金[2013011007-3]
大同市科技攻关项目[201422-5]
山西大同大学博士科研启动基金[2011-B-05]
关键词
密度泛函理论
非平衡格林函数方法
晶面指数
负微分电阻
density functional theory
non-equilibrium green＇s function
indices of crystal plane
negative differential resistance
