Kondo-like Resonances in the high spin MnPc. Atomic and Molecular Theoretical Approach

In recent years, Kondo$-$like resonances have been measured by different experimental groups in the 3$\backslash$2 high spin Manganese Phthalocyanine (MnPc) on different kinds of surfaces [1,3]. With the aim to understand these resonances we have performed Dynamical Mean Field Theory calculations based on models extracted from Density Functional Theory calculations and Green's function formalism [4,5]. Two types of models are considered: one based on atomic d orbitals and one based on frontier molecular orbitals which contain the spin of the molecule.\\[4pt] [1] Ying-Shuang Fu et. al. Phys. Rev. Lett. 99, 256601. 2007.\\[0pt] [2] K. J. Franke et. al. Science 332, 940. 2011.\\[0pt] [3] A. Str\'{o}zecka et. al. Phys. Rev. Lett. 109, 147202. 2012.\\[0pt] [4] ANT.G03. www.alacant.dfa.ua.es. \\[0pt] [5] D. Jacob et. al. Phys. Rev. B. 82, 195115. 2010.