摘要
采用第一性原理非平衡格林函数方法研究了有机物分子HOOCC6H4(CH2)n置于2个铝电极之间时的导电性质.随着CH2数目n的增加,体系的平衡电导成指数减少.当n≥2时,体系的I-V曲线出现了很大的不对称性:加负电压时,通过分子的电流非常小;而加正电压时,电流随着电压的升高而急剧增大且在特定的电压处出现了很大的负微分电阻;当n=5时,得到了一个很好的整流系数为38.
The first Principal has been studied based on nonequilibrium Green’s function method on the Current rectification of asymmetric organic molecule HOOCC6H4（CH2）n sandwiched between two aluminum electrodes.With the increasing number n of CH2,the conductance of the system decreases exponentially.The phenomenon of current rectification is observed such that a very small current appears at negative bias and a sharp negative differential resistance at a critical positive bias when n≥2.A significant rectification ratio of 38 can be achieved when n=5.
出处
《江西师范大学学报（自然科学版）》
CAS
北大核心
2011年第1期65-69,共5页
Journal of Jiangxi Normal University(Natural Science Edition)
基金
赣南医学院笠研课题(YB200909)资助项目
关键词
整流效应
平衡电导
第一性原理
current rectification
equilibrium conductance
first priciples
