Electron transport in core-shell type fullerene nanojunction

Sergeyev D. Duisenova A.
January 2022 Techno-Press

Advances in Nano Research
2022 #12 Issue 1 25 - 35 pp.

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–С80@C180–Au”, “Au–(С20@С80)@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 С80@C180-,(С20@С80)@C180-nanojunctions is output from the Coulomb blockade mode with the lowest drain-to-source voltage.

Coulomb blockade , Current-voltage characteristic , Electron transport , Fullerene , Nanojunction , Single–electron transistor

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Department of Physics, K. Zhubanov Aktobe Regional State University, 34A Moldagulova avenue, Aktobe, 030000, Kazakhstan
Department of Radio Electronics, T. Begeldinov Aktobe Aviation Institute, 39 Moldagulova avenue, Aktobe, 030012, Kazakhstan

Department of Physics
Department of Radio Electronics

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