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Helical Shell Structures of Ni-A1 Alloy Nanowires and Their Electronic Transport Properties
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Six kinds of Ni-A1 alloy nanowires are optimized by means of simulated annealing. The optimized structures show that the Ni-A1 alloy nanowires are helical shell structures that are wound by three atomic strands, which is very similar to the case with pure metallic nanowires. The densities of states (DOS), transmission function T( E), current-voltage (I - V) curves, and the conductance spectra of these alloy nanowires are also investigated. Our results indicate that the conductance spectra depend on the geometric structure properties and the ingredients of the alloy nanowires. We observe and study the nonlinear contribution to the I-V characteristics that are due to the quantum size effect and the impurity effect. The addition of Ni atoms decreases the conductance of the Ni-A1 alloy nanowire because the doping atom Ni change the electronic band structures and the charge density distribution. The interesting statistical results shed light on the physics of quantum transport at the nano-scale. 相似文献
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对VHF/UHF波段电磁波传播模型和人工神经网络算法特性进行了分析,认为可以根据大量的实测数据,利用人工神经网络算法,建立起适合于本地使用的电磁波传播模型.该算法符合现代理念的"数据驱动"思想,所建立的模型具有强非线性特点,有较好的可修正性,很好地解决了模型本地化问题. 相似文献
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We present the structures and electrical transport properties of nanowires made from different strands of phosphorus chains encapsulated in carbon nanotubes. Optimized by density function theory, our results indicate that the conductance spectra reveal an oscillation dependence on the size of wires. It can be seen from the density of states and current-voltage curves that the structure of nanowires affects their properties greatly. Among them, the DNA-like double-helical phosphorus nanowire exhibits the distinct characteristic of an approximately linear I - V relationship and has a higher conductance than others. The transport properties of phosphorus nanowires are highly correlated with their microstructures. 相似文献
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