改性苯的电子传输
Electron Transmission through Modified Benzene
摘要：
应用重整化方法研究了含苯分子电路的电子传输特性，其中一个碳原子被修饰以模拟位移或被另一个原子取代.考虑到引线的不同可能的连接，以及修饰原子的相对位置，导致9种不同的配置来检查。对于每种配置，反共振的数量和位置，以及它们是否会随着参数的变化而变化，被认为是确定电子传输曲线形状的关键。特别是，与纯苯相比，被扰动的原子不直接连接到铅上的那些构型被认为在其结构中具有最大的变化。
英文摘要：
The renormalization method is applied to investigate the electron transmission properties of a circuit containing a benzene molecule, in which one of the carbon atoms has been modified so as to simulate displacement in position or replacement by another atom. Consideration of the different possible attachments of the leads, and the relative location of the modified atom, results in 9 distinct configurations to examine. For each configuration, the number and locations of anti-resonances, and whether they shift upon variation of the parameters, is seen to be the key to determining the shape of the electron-transmission curve. In particular, those configurations, in which the perturbed atom is not directly attached to a lead, are seen to have the most variation in their structure, compared to pure benzene.
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