| In recent years,carbon nanotube structures have been widely concerned and studied.So far,the various structures and electronic properties of carbon nanotubes have been studied.In the experiment,a carbon-based nanohoop structure([n]cycloparaphenylenes)([n]CPPs)was successfully prepared.Structurally,carbon nanohoop have a similar structure to carbon nanotubes.The discovery of these new structures will bring people more interest in research,and will bring more broad application prospects for carbon nanodevices.Based on this,the paper has studied the electron transport properties and physical mechanism of carbon-based nanomaterials based on the first principles and the combination of density functional theory and non-equilibrium Green function.The main contents of this paper are as follows.First,the paper takes [6]CPP as an example to study the influence of different carbon electrode contact geometries on the electronic transport properties,and it has found the negative differential resistance effect.In addition,negative differential resistance is found in the electron transport properties of different sizes of carbon nanohoop connected to gold electrodes.Therefore,the negative differential resistance effect is the inherent characteristic of the carbon nanohoop.Secondly,the paper dopes the transition metal atoms Fe,Co,Ni and further discussed the spin transport properties.It is found that the Fe and Co doped systems have highly spin polarized transmission properties,but the Ni doped systems exhibit the characteristics of none spin polarization.Finally,the paper also studies the electron transport properties of the carbon-based nanohoop structure under the gate voltage.The research structure shows that the effect of gate voltage on the negative differential resistance effect of carbon-based nanohoop is more obvious.Because the effect of gate voltage is easier to be realized experimentally,it is more beneficial to the research and preparation of molecular devices in the future. |
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