An ab initio study on the effect of junctions on transport characteristics of nitrogen and aluminum mixed chain

作者：Zhou Qinghua; Hu Wei; Wang Tao; Liu Wenhua; Liang Yan; Hu Jianfeng^*

来源：Chinese Journal of Physics, 2018, 56(2): 659-664.

DOI：10.1016/j.cjph.2017.12.016

• Nanoscience and technology
• Equilibrium conductance
• I-V curve
• Resonance transmission peak
• Transferring charge

We have studied the effect of junctions on transport characteristics of Nitrogen and Aluminum (AlN) n (n represents the number of "AlN" units) mixed chain between Al (100) electrodes by using the first-principle based on density functional theory and non-equilibrium Green's function in this paper. From the results of the study, the longer the atomic chain, the weaker the coupling between the atom chain and the electrodes. When n > 2, the equilibrium conductance in Fermi level is very small and tends to zero, in a non-conducting state. In the case of bias, when the bias voltage increases, the resonance transmission peaks move from the Fermi level. When the bias is increased to 4 V, the device is in the cut-off in the energy region of -2-0 eV, there are several resonant transmittance peaks at the same time in the energy region of 0-2 eV, showing a good diode behavior.

• 出版日期2018-4
• 单位江西科技学院