Advances in nano research

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Electron transport in core-shell type fullerene nanojunction

  • Sergeyev, Daulet (Department of Physics, K. Zhubanov Aktobe Regional State University) ;
  • Duisenova, Ainur (Department of Physics, K. Zhubanov Aktobe Regional State University)
  • Received : 2021.08.03
  • Accepted : 2021.09.02
  • Published : 2022.01.25
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Abstract

Within the framework of the density functional theory combined with the method of non-equilibrium Green's functions (DFT + NEGF), the features of electron transport in fullerene nanojunctions, which are «core-shell» nanoobjects made of a combination of fullerenes of different diameters C20, C80, C180, placed between gold electrodes (in a nanogap), are studied. Their transmission spectra, the density of state, current-voltage characteristics and differential conductivity are determined. It was shown that in the energy range of -0.45-0.45 eV in the transmission spectrum of the "Au-C180-Au" nanojunction appears a HOMO-LUMO gap with a width of 0.9 eV; when small-sized fullerenes C20, C80 are intercalation into the cavity C180 the gap disappears, and a series of resonant structures are observed on their spectra. It has been established that distinct Coulomb steps appear on the current-voltage characteristics of the "Au-C180-Au" nanojunction, but on the current-voltage characteristics "Au-C80@C180-Au", "Au-(C20@C80)@C180-Au" these step structures are blurred due to a decrease in Coulomb energy. An increase in the number of Coulomb features on the dI/dV spectra of core-shell fullerene nanojunctions was revealed in comparison with nanojunctions based on fullerene C60, which makes it possible to create high-speed single-electron devices on their basis. Models of single-electron transistors (SET) based on fullerene nanojunctions "Au-C180-Au", "Au-C80@C180-Au" and "Au-(C20@C80)@C180-Au" are considered. Their charge stability diagrams are analyzed and it is shown that SET based on C80@C180-, (C20@C80)@C180- nanojunctions is output from the Coulomb blockade mode with the lowest drain-to-source voltage.

Keywords

Acknowledgement

This research is funded by the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (Grant No AP08052562)

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