Electron Transport in Carbon Nanotubes with Adsorbed Chromium Impurities

• Main Authors: Stanislav Repetsky, Iryna Vyshyvana, Yasuhiro Nakazawa, Sergei Kruchinin, Stefano Bellucci
• Format: Article
• Language: English
• Published: MDPI AG 2019-02-01
• Series: Materials
• Subjects: carbon nanotubes; chromium impurities; spin-depended transport; Green’s function; multiband Hamiltonian; electron correlation
• Online Access: https://www.mdpi.com/1996-1944/12/3/524

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.