Nonequilibrium conductance through a benzene molecule in the Kondo regime

Abstract

Starting from exact eigenstates for a symmetric ring, we derive a low-energy effective generalized Anderson Hamiltonian which contains two spin doublets with opposite momenta and a singlet for the neutral molecule. For benzene, the singlet (doublets) represent the ground state of the neutral (singly charged) molecule. We calculate the non-equilibrium conductance through a benzene molecule, doped with one electron or a hole (i.e. in the Kondo regime), and connected to two conducting leads at different positions. We solve the problem using the Keldysh formalism and the non-crossing approximation (NCA). When the leads are connected in the \emph{para} position (at 180 degrees), the model is equivalent to the ordinary impurity Anderson model and its known properties are recovered. For other positions, there is a partial destructive interference in the cotunneling processes involving the two doublets and as a consequence, the Kondo temperature and the height and width of the central peak (for bias voltage $V_b$ near zero) of the differential conductance $G=dI/d{V}_b$ (where $I$ is the current) are reduced. In addition, two peaks at finite $V_b$ appear. We study the position of these peaks, the temperature dependence of $G$ and the spectral densities. Our formalism can also be applied to carbon nanotube quantum dots with intervalley mixing.

11 pages, 6 figures, figures improved and printing errors corrected, accepted for publication in J. Phys.: Condens. Matter

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