Enhanced electron-electron correlations in nanometric epitaxial SrRuO3 epitaxial films

Epitaxial and fully strained SrRuO3 thin films have been grown on SrTiO3(100). At initial stages the growth mode is three-dimensional- (3D-)like, leading to a finger-shaped structure aligned with the substrate steps and that eventually evolves into a 2D step-flow growth. We study the impact that the defect structure associated with this unique growth mode transition has on the electronic properties of the films. Detailed analysis of the transport properties of nanometric films reveals that microstructural disorder promotes a shortening of the carrier mean free path. Remarkably enough, at low temperatures, this results in a reinforcement of quantum corrections to the conductivity as predicted by recent models of disordered, strongly correlated electronic systems. This finding may provide a simple explanation for the commonly observed¿in conducting oxides-resistivity minima at low temperature. Simultaneously, the ferromagnetic transition occurring at about 140 K, becomes broader as film thickness decreases down to nanometric range. The relevance of these results for the understanding of the electronic properties of disordered electronic systems and for the technological applications of SrRuO3¿and other ferromagnetic and metallic oxides¿is stressed.

Molecular quantum similarity in QSAR: applications in computer-aided molecular design

La present tesi està centrada en l'ús de la Teoria de Semblança Quàntica per a calcular descriptors moleculars. Aquests descriptors s'utilitzen com a paràmetres estructurals per a derivar correlacions entre l'estructura i la funció o activitat experimental per a un conjunt de compostos. Els estudis de Relacions Quantitatives Estructura-Activitat són d'especial interès per al disseny racional de molècules assistit per ordinador i, en particular, per al disseny de fàrmacs. Aquesta memòria consta de quatre parts diferenciades. En els dos primers blocs es revisen els fonaments de la teoria de semblança quàntica, així com l'aproximació topològica basada en la teoria de grafs. Ambdues teories es fan servir per a calcular els descriptors moleculars. En el segon bloc, s'ha de remarcar la programació i implementació de programari per a calcular els anomenats índexs topològics de semblança quàntica. La tercera secció detalla les bases de les Relacions Quantitatives Estructura-Activitat i, finalment, el darrer apartat recull els resultats d'aplicació obtinguts per a diferents sistemes biològics.

Syntheses, structural analyses, and magneto-structural correlations of three polymeric Fe(II) complexes with azide ligand

Three new metal-organic polymeric complexes, [Fe(N-3)(2)(bPP)(2)] (1), [Fe(N-3)(2)(bpe)] (2), and [Fe(N-3)(2)(phen)] (3) [bpp = (1,3-bis(4-pyridyl)-propane), bpe = (1,2-bis(4-pyridyl)-ethane), phen = 1,10-phenanthroline], have been synthesized and characterized by single-crystal X-ray diffraction studies and low-temperature magnetic measurements in the range 300-2 K. Complexes 1 and 2 crystallize in the monoclinic system, space group C2/c, with the following cell parameters: a = 19.355(4) Angstrom, b = 7.076(2) Angstrom, c = 22.549(4) Angstrom, beta = 119.50(3)degrees, Z = 4, and a = 10.007(14) Angstrom, b = 13.789(18) Angstrom, c = 10.377(14) Angstrom, beta = 103.50(1)degrees, Z = 4, respectively. Complex 3 crystallizes in the triclinic system, space group P (1) over bar, with a = 7.155(12) Angstrom, b = 10.066(14) Angstrom, c = 10.508(14) Angstrom, alpha = 109.57(1)degrees, beta = 104.57(1)degrees, gamma = 105.10(1)degrees, and Z = 2. All coordination polymers exhibit octahedral Fe(II) nodes. The structural determination of 1 reveals a parallel interpenetrated structure of 2D layers of (4,4) topology, formed by Fe(II) nodes linked through bpp ligands, while mono-coordinated azide anions are pendant from the corrugated sheet. Complex 2 has a 2D arrangement constructed through 1D double end-to-end azide bridged iron(11) chains interconnected through bpe ligands. Complex 3 shows a polymeric arrangement where the metal ions are interlinked through pairs of end-on and end-to-end azide ligands exhibiting a zigzag arrangement of metals (Fe-Fe-Fe angle of 111.18degrees) and an intermetallic separation of 3.347 Angstrom (through the EO azide) and of 5.229 Angstrom (EE azide). Variable-temperature magnetic susceptibility data suggest that there is no magnetic interaction between the metal centers in 1, whereas in 2 there is an antiferromagnetic interaction through the end-to-end azide bridge. Complex 3 shows ferro- as well as anti-ferromagnetic interactions between the metal centers generated through the alternating end-on and end-to-end azide bridges. Complex I has been modeled using the D parameter (considering distorted octahedral Fe(II) geometry and with any possible J value equal to zero) and complex 2 has been modeled as a one-dimensional system with classical and/or quantum spin where we have used two possible full diagonalization processes: without and with the D parameter, considering the important distortions of the Fe(II) ions. For complex 3, the alternating coupling model impedes a mathematical solution for the modeling as classical spins. With quantum spin, the modeling has been made as in 2.

Protecting clean critical points by local disorder correlations

We show that a broad class of quantum critical points can be stable against locally correlated disorder even if they are unstable against uncorrelated disorder. Although this result seemingly contradicts the Harris criterion, it follows naturally from the absence of a random-mass term in the associated order parameter field theory. We illustrate the general concept with explicit calculations for quantum spin-chain models. Instead of the infinite-randomness physics induced by uncorrelated disorder, we find that weak locally correlated disorder is irrelevant. For larger disorder, we find a line of critical points with unusual properties such as an increase of the entanglement entropy with the disorder strength. We also propose experimental realizations in the context of quantum magnetism and cold-atom physics. Copyright (C) EPLA, 2011

Quantum coherent tunneling between two atomic-molecular Bose-Einstein condensates

We study the quantum coherent tunneling dynamics of two weakly coupled atomic-molecular Bose-Einstein condensates (AMBEC). A weak link is supposed to be provided by a double-well trap. The regions of parameters where the macroscopic quantum localization of the relative atomic population occurs are revealed. The different dynamical regimes are found depending on the value of nonlinearity, namely, coupled oscillations of population imbalance of atomic and molecular condensate, including irregular oscillations regions, and macroscopic quantum self trapping regimes. Quantum means and quadrature variances are calculated for population of atomic and molecular condensates and the possibility of quadrature squeezing is shown via stochastic simulations within P-positive phase space representation method. Linear tunnel coupling between two AMBEC leads to correlations in quantum statistics.

Quantum entanglement and fixed point Hopf bifurcation

We present the qualitative differences in the phase transitions of the mono-mode Dicke model in its integrable and chaotic versions. These qualitative differences are shown to be connected to the degree of entanglement of the ground state correlations as measured by the linear entropy. We show that a first order phase transition occurs in the integrable case whereas a second order in the chaotic one. This difference is also reflected in the classical limit: for the integrable case the stable fixed point in phase space undergoes a Hopf type whereas the second one a pitchfork type bifurcation. The calculation of the atomic Wigner functions of the ground state follows the same trends. Moreover, strong correlations are evidenced by its negative parts. (c) 2006 Elsevier B.V. All rights reserved.

Disappearance of squeezed back-to-back correlations: a new signal of hadron freeze-out from a supercooled quark gluon plasma

We briefly discuss four different possible types of transitions from quark to hadronic matter and their characteristic signatures in terms of correlations. We also highlight the effects arising from mass modification of hadrons in hot and dense hadronic matter, as well as their quantum statistical consequences: the appearance of squeezed quantum states and the associated experimental signatures, i.e., the back-to-back correlations of particle-antiparticle pairs. We briefly review the theoretical results of these squeezed quanta, generated by in-medium modified masses, starting from the first indication of the existence of surprising particle-antiparticle correlations, and ending by considering the effects of chiral dynamics on these correlation patterns. Nevertheless, a prerequisite for such a signature is the experimental verification of its observability. Therefore, the experimental observation of back-to-back correlations in high energy heavy ion reactions would be a unique signature, proving the existence of in-medium mass modification of hadronic states. on the other hand, their disappearance at some threshold centrality or collision energy would indicate that the hadron formation mechanism would have qualitatively changed: asymptotic hadrons above such a threshold are not formed from medium modified hadrons anymore, but rather by new degrees of freedom characterizing the medium. Furthermore, the disappearance of the squeezed BBC could also serve as a signature of a sudden, non-equilibrium hadronization scenario from a supercooled quark-gluon plasma phase.

Designing spatial correlation of quantum dots: towards self-assembled three-dimensional structures

Buried two-dimensional arrays of InP dots were used as a template for the lateral ordering of self-assembled quantum dots. The template strain field can laterally organize compressive (InAs) as well as tensile (GaP) self-assembled nanostructures in a highly ordered square lattice. High-resolution transmission electron microscopy measurements show that the InAs dots are vertically correlated to the InP template, while the GaP dots are vertically anti-correlated, nucleating in the position between two buried InP dots. Finite InP dot size effects are observed to originate InAs clustering but do not affect GaP dot nucleation. The possibility of bilayer formation with different vertical correlations suggests a new path for obtaining three-dimensional pseudocrystals.

Emergence of the Pointer Basis through the Dynamics of Correlations

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

From quantum to classical instability in relativistic stars

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Inhomogeneous Fermi and quantum spin systems on lattices

We study the thermodynamic properties of a certain type of space-inhomogeneous Fermi and quantum spin systems on lattices. We are particularly interested in the case where the space scale of the inhomogeneities stays macroscopic, but very small as compared to the side-length of the box containing fermions or spins. The present study is however not restricted to "macroscopic inhomogeneities" and also includes the (periodic) microscopic and mesoscopic cases. We prove that - as in the homogeneous case - the pressure is, up to a minus sign, the conservative value of a two-person zero-sum game, named here thermodynamic game. Because of the absence of space symmetries in such inhomogeneous systems, it is not clear from the beginning what kind of object equilibrium states should be in the thermodynamic limit. However, we give rigorous statements on correlations functions for large boxes. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4763465]

Quantum spherical model with competing interactions

We analyse the phase diagram of a quantum mean spherical model in terms of the temperature T, a quantum parameter g, and the ratio p = -J(2)/J(1) where J(1) > 0 refers to ferromagnetic interactions between first-neighbour sites along the d directions of a hypercubic lattice, and J(2) < 0 is associated with competing anti ferromagnetic interactions between second neighbours along m <= d directions. We regain a number of known results for the classical version of this model, including the topology of the critical line in the g = 0 space, with a Lifshitz point at p = 1/4, for d > 2, and closed-form expressions for the decay of the pair correlations in one dimension. In the T = 0 phase diagram, there is a critical border, g(c) = g(c) (p) for d >= 2, with a singularity at the Lifshitz point if d < (m + 4)/2. We also establish upper and lower critical dimensions, and analyse the quantum critical behavior in the neighborhood of p = 1/4. 2012 (C) Elsevier B.V. All rights reserved.

Signatures of quantum phase transitions in parallel quantum dots: Crossover from local moment to underscreened spin-1 Kondo physics

We study a strongly interacting "quantum dot 1" and a weakly interacting "dot 2" connected in parallel to metallic leads. Gate voltages can drive the system between Kondo-quenched and non-Kondo free-moment phases separated by Kosterlitz-Thouless quantum phase transitions. Away from the immediate vicinity of the quantum phase transitions, the physical properties retain signatures of first-order transitions found previously to arise when dot 2 is strictly noninteracting. As interactions in dot 2 become stronger relative to the dot-lead coupling, the free moment in the non-Kondo phase evolves smoothly from an isolated spin-one-half in dot 1 to a many-body doublet arising from the incomplete Kondo compensation by the leads of a combined dot spin-one. These limits, which feature very different spin correlations between dot and lead electrons, can be distinguished by weak-bias conductance measurements performed at finite temperatures.

Finite-size corrections of the entanglement entropy of critical quantum chains

Using the density matrix renormalization group, we calculated the finite-size corrections of the entanglement alpha-Renyi entropy of a single interval for several critical quantum chains. We considered models with U(1) symmetry such as the spin-1/2 XXZ and spin-1 Fateev-Zamolodchikov models, as well as models with discrete symmetries such as the Ising, the Blume-Capel, and the three-state Potts models. These corrections contain physically relevant information. Their amplitudes, which depend on the value of a, are related to the dimensions of operators in the conformal field theory governing the long-distance correlations of the critical quantum chains. The obtained results together with earlier exact and numerical ones allow us to formulate some general conjectures about the operator responsible for the leading finite-size correction of the alpha-Renyi entropies. We conjecture that the exponent of the leading finite-size correction of the alpha-Renyi entropies is p(alpha) = 2X(epsilon)/alpha for alpha > 1 and p(1) = nu, where X-epsilon denotes the dimensions of the energy operator of the model and nu = 2 for all the models.

(KsKs0)-K-0 correlations in pp collisions at root s=7 TeV from the LHC ALICE experiment

Identical neutral kaon pair correlations are measured in root s = 7 TeV pp collisions in the ALICE experiment. One-dimensional (KsKs0)-K-0 correlation functions in terms of the invariant momentum difference of kaon pairs are formed in two multiplicity and two transverse momentum ranges. The femtoscopic parameters for the radius and correlation strength of the kaon source are extracted. The fit includes quantum statistics and final-state interactions of the a(0)/f(0) resonance. (KsKs0)-K-0 correlations show an increase in radius for increasing multiplicity and a slight decrease in radius for increasing transverse mass, mT, as seen in pi pi correlations in pp collisions and in heavy-ion collisions. Transverse mass scaling is observed between the (KsKs0)-K-0 and pi pi radii. Also, the first observation is made of the decay of the f(2)'(1525) meson into the (KsKs0)-K-0 channel in pp collisions. (C) 2012 CERN. Published by Elsevier B.V. All rights reserved.