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Materials 2019, 12(3), 524; https://doi.org/10.3390/ma12030524

Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities

1
Institute of High Technologies, Taras Shevchenko Kyiv National University, 02033 Kyiv, Ukraine
2
Department of Chemistry, Graduate School of Science, Osaka University, 560-0043 Osaka, Japan
3
Bogolyubov Institute for Theoretical Physics, 03143 Kyiv, Ukraine
4
INFN-Laboratori Nazionali di Frascati, Via E. Fermi 40, 00044 Frascati, Italy
*
Author to whom correspondence should be addressed.
Received: 8 January 2019 / Revised: 26 January 2019 / Accepted: 30 January 2019 / Published: 10 February 2019
(This article belongs to the Special Issue Nanocarbon Based Composites)
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Abstract

We employ Green’s function method for describing multiband models with magnetic impurities and apply the formalism to the problem of chromium impurities adsorbed onto a carbon nanotube. Density functional theory is used to determine the bandstructure, which is then fit to a tight-binding model to allow for the subsequent Green’s function description. Electron–electron interactions, electron–phonon coupling, and disorder scattering are all taken into account (perturbatively) with a theory that involves a cluster extension of the coherent potential approximation. We show how increasing the cluster size produces more accurate results and how the final calculations converge as a function of the cluster size. We examine the spin-polarized electrical current on the nanotube generated by the magnetic impurities adsorbed onto the nanotube surface. The spin polarization increases with both increasing concentration of chromium impurities and with increasing magnetic field. Its origin arises from the strong electron correlations generated by the Cr impurities. View Full-Text
Keywords: carbon nanotubes; chromium impurities; spin-depended transport; Green’s function; multiband Hamiltonian; electron correlation carbon nanotubes; chromium impurities; spin-depended transport; Green’s function; multiband Hamiltonian; electron correlation
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Repetsky, S.; Vyshyvana, I.; Nakazawa, Y.; Kruchinin, S.; Bellucci, S. Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities. Materials 2019, 12, 524.

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