Iron phthalocyanine on Au(111) is a "non-Landau" Fermi liquid.

The paradigm of Landau's Fermi liquid theory has been challenged with the finding of a strongly interacting Fermi liquid that cannot be adiabatically connected to a non-interacting system. A spin-1 two-channel Kondo impurity with anisotropy D has a quantum phase transition between two topologically different Fermi liquids with a peak (dip) in the Fermi level for D < Dc (D > Dc). Extending this theory to general multi-orbital problems with finite magnetic field, we reinterpret in a unified and consistent fashion several experimental studies of iron phthalocyanine molecules on Au(111) that were previously described in disconnected and conflicting ways. The differential conductance shows a zero-bias dip that widens when the molecule is lifted from the surface (reducing the Kondo couplings) and is transformed continuously into a peak under an applied magnetic field. We reproduce all features and propose an experiment to induce the topological transition.

Correlated Partial Disorder in a Weakly Frustrated Quantum Antiferromagnet.

Partial disorder-the microscopic coexistence of long-range magnetic order and disorder-is a rare phenomenon that has been experimentally and theoretically reported in some Ising- or easy plane-spin systems, driven by entropic effects at finite temperatures. Here, we present an analytical and numerical analysis of the S=1/2 Heisenberg antiferromagnet on the sqrt[3]×sqrt[3]-distorted triangular lattice, which shows that its quantum ground state has partial disorder in the weakly frustrated regime. This state has a 180° Néel ordered honeycomb subsystem coexisting with disordered spins at the hexagon center sites. These central spins are ferromagnetically aligned at short distances, as a consequence of a Casimir-like effect originated by the zero-point quantum fluctuations of the honeycomb lattice.

Generalized One-Band Model Based on Zhang-Rice Singlets for Tetragonal CuO.

Tetragonal CuO (T-CuO) has attracted attention because of its structure similar to that of the cuprates. It has been recently proposed as a compound whose study can give an end to the long debate about the proper microscopic modeling for cuprates. In this work, we rigorously derive an effective one-band generalized t-J model for T-CuO, based on orthogonalized Zhang-Rice singlets, and make an estimative calculation of its parameters, based on previous ab initio calculations. By means of the self-consistent Born approximation, we then evaluate the spectral function and the quasiparticle dispersion for a single hole doped in antiferromagnetically ordered half filled T-CuO. Our predictions show very good agreement with angle-resolved photoemission spectra and with theoretical multiband results. We conclude that a generalized t-J model remains the minimal Hamiltonian for a correct description of single-hole dynamics in cuprates.

Reliability of the one-crossing approximation in describing the Mott transition.

We assess the reliability of the one-crossing approximation (OCA) approach in a quantitative description of the Mott transition in the framework of the dynamical mean field theory (DMFT). The OCA approach has been applied in conjunction with DMFT to a number of heavy-fermion, actinide, transition metal compounds and nanoscale systems. However, several recent studies in the framework of impurity models pointed out serious deficiencies of OCA and raised questions regarding its reliability. Here we consider a single band Hubbard model on the Bethe lattice at finite temperatures and compare the results of OCA to those of a numerically exact quantum Monte Carlo (QMC) method. The temperature-local repulsion U phase diagram for the particle-hole symmetric case obtained by OCA is in good agreement with that of QMC, with the metal-insulator transition captured very well. We find, however, that the insulator to metal transition is shifted to higher values of U and, simultaneously, correlations in the metallic phase are significantly overestimated. This counter-intuitive behaviour is due to simultaneous underestimations of the Kondo scale in the metallic phase and the size of the insulating gap. We trace the underestimation of the insulating gap to that of the second moment of the high-frequency expansion of the impurity spectral density. Calculations of the system away from the particle-hole symmetric case are also presented and discussed.

Classical antiferromagnetism in kinetically frustrated electronic models.

We study, by means of the density matrix renormalization group, the infinite U Hubbard model--with one hole doped away from half filling--in triangular and square lattices with frustrated hoppings, which invalidate Nagaoka's theorem. We find that these kinetically frustrated models have antiferromagnetic ground states with classical local magnetization in the thermodynamic limit. We identify the mechanism of this kinetic antiferromagnetism with the release of the kinetic energy frustration, as the hole moves in the established antiferromagnetic background. This release can occur in two different ways: by a nontrivial spin Berry phase acquired by the hole, or by the effective vanishing of the hopping amplitude along the frustrating loops.

Broken discrete and continuous symmetries in two-dimensional spiral antiferromagnets.

We study the occurrence of symmetry breaking, at zero and finite temperatures, in the J1-J3 antiferromagnetic Heisenberg model on the square lattice using Schwinger boson mean field theory. For spin-1/2 the ground state always breaks the SU(2) symmetry with a continuous quasi-critical transition at J3/J1 ∼ 0.38, from Néel to spiral long range order, although local spin fluctuation considerations suggest an intermediate disordered regime around 0.35 ≲ J3/J1 ≲ 0.5, in qualitative agreement with recent numerical results. At low temperatures we find a Z2 broken symmetry region with short range spiral order characterized by an Ising-like nematic order parameter that compares qualitatively well with classical Monte Carlo results. At intermediate temperatures the phase diagram shows regions with collinear short range orders: for J3/J1 < 1 Néel (π,π) correlations and for J3/J1 > 1 a novel phase consisting of four decoupled third neighbour sublattices with Néel (π,π) correlations in each one. We conclude that the effect of quantum and thermal fluctuations is to favour collinear correlations even in the strongly frustrated regime.