ABSTRACT
We study an impurity Anderson model to describe an iron phthalocyanine (FePc) molecule on Au(1 1 1), motivated by previous results of scanning tunneling spectroscopy (STS) and theoretical studies. The model hybridizes a spin doublet consisting in one hole at the [Formula: see text] orbital of iron and two degenerate doublets corresponding to one hole either in the 3d xz or in the 3d yz orbital (called π orbitals) with two degenerate Hund-rule triplets with one hole in the 3d z orbital and another one in a π orbital. We solve the model using a slave-boson mean-field approximation (SBMFA). For reasonable parameters we can describe very well the observed STS spectrum between sample bias -60 mV to 20 mV. For these parameters the Kondo effect takes place in two stages, with different energy scales [Formula: see text] corresponding to the Kondo temperatures related with the hopping of the z 2 and π orbitals respectively. There is a strong interference between the different channels and the Kondo temperatures, particularly the lowest one is strongly reduced compared with the value in the absence of the competing channel.
ABSTRACT
The nature of the Mott transition in the absence of any symmetry breaking remains a matter of debate. We study the correlation-driven insulator-to-metal transition in the prototypical 3D Mott system GaTa(4)Se(8), as a function of temperature and applied pressure. We report novel experiments on single crystals, which demonstrate that the transition is of first order and follows from the coexistence of two states, one insulating and one metallic, that we toggle with a small bias current. We provide support for our findings by contrasting the experimental data with calculations that combine local density approximation with dynamical mean-field theory, which are in very good agreement.