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Doping of zigzag carbon nanotubes through the encapsulation of small fullerenes

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 Added by Riccardo Rurali
 Publication date 2006
  fields Physics
and research's language is English




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In this work we investigated the encapsulation of C$_20$ and C$_30$ fullerenes into semiconducting carbon nanotubes to study the possibility of bandgap engineering in such systems. Classical molecular dynamics simulations coupled to tight-binding calculations were used to determine the conformational and electronic properties of carbon nanotube supercells containing up to 12 fullerenes. We have observed that C$_20$ fullerenes behave similarly to a p-type dopant while C$_30$ ones work as n-type ones. For larger diameter nanotubes, where fullerene patterns start to differ from the linear arrangements (peapods), the doping features are preserved for both fullerenes, but local disorder plays an important role and significantly alters the electronic structure. The combined incorporation of both fullerene types (hybrid encapsulation) into the same nanotube leads to a behavior similar to that found in electronic junctions in Silicon-based electronic devices. These aspects can be exploited in the design of nanoelectronic devices using semiconducting carbon nanotubes.



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The electron-phonon matrix element for edge states of carbon nanotubes and graphene at zigzag edges is calculated for obtaining renormalized energy dispersion of the edge states. Self-energy correction by electron-phonon interaction contributes to the energy dispersion of edge states whose energy bandwidth is similar to phonon energy. Since the energy-uncertainty of the edge state is larger than temperature, we conclude that the single-particle picture of the edge state in not appropriate when the electron-phonon interaction is taken into account. The longitudinal acoustic phonon mode contributes to the matrix element through the on-site deformation potential because the wavefunction of the edge state has an amplitude only on one of the two sublattices. The on-site deformation potentials for the longitudinal and in-plane tangential optical phonon modes are enhanced at the boundary. The results of local density of states are compared with the recent experimental data of scanning tunneling spectroscopy.
76 - S. Krompiewski 2004
Carbon nanotubes (CNT) belong to the most promising new materials which can in the near future revolutionize the conventional electronics. When sandwiched between ferromagnetic electrodes, the CNT behaves like a spacer in conventional spin-valves, leading quite often to a considerable giant magneto-resistance effect (GMR). This paper is devoted to reviewing some topics related to electron correlations in CNT. The main attention however is directed to the following effects essential for electron transport through nanotubes: (i) nanotube/electrode coupling and (ii) inter-tube interactions.It is shown that these effects may account for some recent experimental reports on GMR, including those on negative (inverse) GMR.
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182 - J. Ebbecke , C. J. Strobl , 2004
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