Spin Andreev-like reflection in metal-Mott insulator heterostructures

Using the time-dependent density-matrix renormalization group (tDMRG), we study the time evolution of electron wave packets in one-dimensional (1D) metal-superconductor heterostructures. The results show Andreev reflection at the interface, as expected. By combining these results with the well-known single-spin-species electron-hole transformation in the Hubbard model, we predict an analogous spin Andreev reflection in metal-Mott insulator heterostructures. This effect is numerically confirmed using 1D tDMRG, but it is expected to be present also in higher dimensions, as well as in more general Hamiltonians. We present an intuitive picture of the spin reflection, analogous to that of Andreev reflection at metal-superconductors interfaces. This allows us to discuss a novel antiferromagnetic proximity effect. Possible experimental realizations are discussed.

Quantum phase transition between orbital-selective Mott states in Hunds metals

We report a quantum phase transition between orbital-selective Mott states, with different localized orbitals, in a Hunds metals model. Using the density matrix renormalization group, the phase diagram is constructed varying the electronic density and Hubbard $U$, at robust Hunds coupling. We demonstrate that this transition is preempted by charge fluctuations and the emergence of free spinless fermions, as opposed to the magnetically-driven Mott transition. The Luttinger correlation exponent is shown to have a universal value in the strong-coupling phase, whereas it is interaction dependent at intermediate couplings. At weak coupling we find a second transition from a normal metal to the intermediate-coupling phase.

Competition between covalent bonding and charge transfer at complex-oxide interfaces

Here we study the electronic properties of cuprate/manganite interfaces. By means of atomic resolution electron microscopy and spectroscopy, we produce a subnanometer scale map of the transition metal oxidation state profile across the interface between the high $T_c$ superconductor YBa$_2$Cu$_3$O$_{7-delta}$ and the colossal magnetoresistance compound (La,Ca)MnO$_3$. A net transfer of electrons from manganite to cuprate with a peculiar non-monotonic charge profile is observed. Model calculations rationalize the profile in terms of the competition between standard charge transfer tendencies (due to band mismatch), strong chemical bonding effects across the interface, and Cu substitution into the Mn lattice, with different characteristic length scales.

Photoexcitation of electronic instabilities in one-dimensional charge-transfer systems

We investigate the real-time dynamics of photoexcited electronic instabilities in a charge-transfer system model, using the time-dependent density matrix renormalization group method. The model of choice was the quarter-filled one-dimensional extended Peierls-Hubbard Hamiltonian interacting with classical few-cycle electromagnetic radiation. The results show that only one electronic instability drives the main features of the photogenerated time-dependent behavior. Indeed, the photoresponse of the system shows a large enhancement of the $4k_F$ (bond and charge) instability whereas the $2k_F$ state remains largely unaffected. This conclusion holds regardless of the nature of the optical excitations and whether the system is perturbed resonantly or not. Our results suggest potential applications of charge-transfer systems with slow phononic dynamics as optoelectronic switching devices.

Exotic magnetic order in the orbital-selective Mott regime of multiorbital systems

The orbital-selective Mott phase (OSMP) of multiorbital Hubbard models has been extensively analyzed before using static and dynamical mean-field approximations. In parallel, the properties of Block states (antiferromagnetically coupled ferromagnetic spin clusters) in Fe-based superconductors have also been much discussed. The present effort uses numerically exact techniques in one-dimensional systems to report the observation of Block states within the OSMP regime, connecting two seemingly independent areas of research, and providing analogies with the physics of Double-Exchange models.

Wave packet dynamics in the one-dimensional extended Hubbard model

Using time-dependent density-matrix renormalization group, we study the time evolution of electronic wave packets in the one-dimensional extended Hubbard model with on-site and nearest neighbor repulsion, U and V, respectively. As expected, the wave packets separate into spin-only and charge-only excitations (spin-charge separation). Charge and spin velocities exhibit non-monotonic dependence on V. For small and intermediate values of V, both velocities increase with V. However, the charge velocity exhibits a stronger dependence than that of the spin, leading to a more pronounced spin-charge separation. Charge fractionalization, on the other hand, is weakly affected by V. The results are explained in terms of Luttinger liquid theory in the weak-coupling limit, and an effective model in the strong-coupling regime.

Quantum phase transition between one-channel and two-channel Kondo polarons

For a mobile spin-1/2 impurity, coupled antiferromagnetically to a one-dimensional gas of fermions, perturbative ideas have been used to argue in favor of two-channel Kondo behavior of the impurity spin. Here we combine general considerations and extensive numerical simulations to show that the problem displays a novel quantum phase transition between two-channel and one-channel Kondo screening upon increasing the Kondo coupling. We construct a ground-state phase diagram and discuss the various non-trivial crossovers as well as possible experimental realizations.

Quantum interference in coherent molecular conductance

Coherent electronic transport through individual molecules is crucially sensitive to quantum interference. Using exact diagonalization techniques, we investigate the zero-bias and zero-temperature conductance through $pi$-conjugated annulene molecules (modeled by the Pariser-Parr-Pople and Hubbard Hamiltonians) weakly coupled to two leads. We analyze the conductance for different source-drain configurations, finding an important reduction for certain transmission channels and for particular geometries as a consequence of destructive quantum interference between states with definite momenta. When translational symmetry is broken by an external perturbation we find an abrupt increase of the conductance through those channels. Previous studies concentrated on the effect at the Fermi energy, where this effect is very small. By analysing the effect of symmetry breaking on the main transmission channels we find a much larger response thus leading to the possibility of a larger switching of the conductance through single molecules.

Improved parallelization techniques for the density matrix renormalization group

A distributed-memory parallelization strategy for the density matrix renormalization group is proposed for cases where correlation functions are required. This new strategy has substantial improvements with respect to previous works. A scalability analysis shows an overall serial fraction of 9.4% and an efficiency of around 60% considering up to eight nodes. Sources of possible parallel slowdown are pointed out and solutions to circumvent these issues are brought forward in order to achieve a better performance.

Universal scaling in nonequilibrium transport through an Anderson impurity

Using non-equilibrium renormalized perturbation theory, we calculate the conductance G as a function of temperature T and bias voltage V for an Anderson model, suitable for describing transport properties through a quantum dot. For renormalized parameters that correspond to the extreme Kondo limit, we do not find a simple scaling formula beyond a quadratic dependence in T and V. However, if valence fluctuations are allowed, we find agreement with recent experiments.