掺杂原子链与反点晶格纳米带的电子输运性质分析-electron transport properties of doped atom chains and anti-point lattice nanoribbons.docxVIP

IIIIAbstractImpurities and defects are unavoidable in the preparing of nanomaterials, however, in order to improve their performance, people have to dope and make kinds of defects in a certain way. In the following, we investigate three kinds of nanosystem: the doped chains, graphene nanoribbons with antidote arrays and graphene nanoribbons doped with BN, our results are summarized as follows:We quantitatively study the quantum diffusion in a bilateral doped chain, which is randomly doped on both sides. Three electronic characteristics calculated: autocorrelation function C(t), the mean square displacement d(t) and the participation number P(E) in different doping situations. The results show that the quantum diffusion is more sensitive to the small ratio of doping, there exists a critical doping ratio q0, and C(t), d(t) and P(E) have different variation trends on different sides of q0. For the self-doped chain, the doped atoms have tremendous influence on the central states of P(E), which causes the electronic states distributed in other energy bands to aggregate to the central band (E = 0) and form quasi-mobility edges there. All of the doped systems experience an incomplete transition of metal-semiconductor-metal.We calculated the transport properties of graphene nanoribbon with antidot arrays, which is penetrated by one or more rectangle nanoholes. Emphasis is put on analyzing the electronic conductance, density of states and local density of states in this system. As the results show, these rectangle nanoholes bring in several localized states, the conductance vibrated irregularly near the femi-energy. The conductance is heavily dependent on the position and size of the nanohole: when the nanohole is sit in the centre of the nanoribbon and has a small width(W4), the change of the conductance near feimi-energy can almost be neglected; while the position is nearer the edge of the nanoribbon or its width becomes bigger, the electronic transport of the system near