Search results for "crossover"

The Hubbard model beyond the two-pole approximation: a Composite Operator Method study

2014

Within the framework of the Composite Operator Method, a three-pole solution for the two-dimensional Hubbard model is presented and analyzed in detail. In addition to the two Hubbard operators, the operatorial basis comprises a third operator describing electronic transitions dressed by nearest-neighbor spin fluctuations. These latter, compared to charge and pair fluctuations, are assumed to be preeminent in the region of model-parameter space - small doping, low temperature and large on-site Coulomb repulsion - where one expects strong electronic correlations to dominate the physics of the system. This assumption and the consequent choice for the basic field, as well as the whole analytica…

Spin Crossover, Liesst, and Niesst-Fascinating Electronic Games in Iron Complexes

1997

Abstract Coordination compounds of transition metal ions with open-shell electron configurations may exhibit dynamic electronic structure phenomena depending on the nature of the coordinating ligand sphere. The change of spin state with temperature (thermal spin crossover”) and light-induced electron transfer processes leading to long-lived metastable states are among the most fascinating electronic games encountered in transition metal compounds and are presently under intensive study by chemists and physicists. The first part of this lecture will survey briefly some highlights of previous work and present recent results on thermal spin crossover in iron(II) compounds. The second part of t…

Finite-size scaling approach for critical wetting: rationalization in terms of a bulk transition with an order parameter exponent equal to zero.

2012

Clarification of critical wetting with short-range forces by simulations has been hampered by the lack of accurate methods to locate where the transition occurs. We solve this problem by developing an anisotropic finite-size scaling approach and show that then the wetting transition is a ``bulk'' critical phenomenon with order parameter exponent equal to zero. For the Ising model in two dimensions, known exact results are straightforwardly reproduced. In three dimensions, it is shown that previous estimates for the location of the transition need revision, but the conclusions about a slow crossover away from mean-field behavior remain unaltered.

Direct Observation in 3d of Structural Crossover in Binary Hard Sphere Mixtures

2016

For binary fluid mixtures of spherical particles in which the two species are sufficiently different in size, the dominant wavelength of oscillations of the pair correlation functions is predicted to change from roughly the diameter of the large species to that of the small species along a sharp crossover line in the phase diagram [C. Grodon, M. Dijkstra, R. Evans & R. Roth, J.Chem.Phys. 121, 7869 (2004)]. Using particle-resolved colloid experiments in 3d we demonstrate that crossover exists and that its location in the phase diagram is in quantitative agreement with the results of both theory and our Monte-Carlo simulations. In contrast with previous work [J. Baumgartl, R. Dullens, M. …

Organization of Quantum Bifurcations: Crossover of Rovibrational Bands in Spherical Top Molecules

1989

Qualitative changes in the rotational structure of a finite particle quantum system are studied. The crossover phenomenon is explained from the point of view of consecutive quantum bifurcations. The generic organization of bifurcations is related to the stratification of the space of dynamical variables imposed by the invariance group of the Hamiltonian.

Spin Transition in Iron Compounds

1984

First-row transition metal complexes with d4 up to d7 electron configuration in octahedral ligand fields (and d8 electron configuration in six-coordinate complexes of lower symmetry) may undergo temperature dependent high spin (HS) ⇌ low spin (LS) transition, provided the ligand field strength (Δ), including low symmetry contributions, becomes comparable in magnitude with the mean spin pairing energy (P). At a critical field strength Δcrit = P, the energy levels of the two spin states cross. This is illustrated in Fig. 1, where a simplified Tanabe-Sugano type energy level diagram for d6 systems (e.g. Fe2+, Co3+) is shown as an example. For weak ligand fields, Δ Δcrit, the LS state1A1g(Oh) b…

Urban air pollution and emergency room admissions for respiratory symptoms: a case-crossover study in Palermo, Italy

2011

Abstract Background Air pollution from vehicular traffic has been associated with respiratory diseases. In Palermo, the largest metropolitan area in Sicily, urban air pollution is mainly addressed to traffic-related pollution because of lack of industrial settlements, and the presence of a temperate climate that contribute to the limited use of domestic heating plants. This study aimed to investigate the association between traffic-related air pollution and emergency room admissions for acute respiratory symptoms. Methods From January 2004 through December 2007, air pollutant concentrations and emergency room visits were collected for a case-crossover study conducted in Palermo, Sicily. Ris…

Oxidative Addition of Halogens on Open Metal Sites in a Microporous Spin-Crossover Coordination Polymer

2009

Conformations, Transverse Fluctuations and Crossover Dynamics of a Semi-Flexible Chain in Two Dimensions

2014

We present a unified scaling description for the dynamics of monomers of a semiflexible chain under good solvent condition in the free draining limit. We consider both the cases where the contour length $L$ is comparable to the persistence length $\ell_p$ and the case $L\gg \ell_p$. Our theory captures the early time monomer dynamics of a stiff chain characterized by $t^{3/4}$ dependence for the mean square displacement(MSD) of the monomers, but predicts a first crossover to the Rouse regime of $t^{2\nu/{1+2\nu}}$ for $\tau_1 \sim \ell_p^3$, and a second crossover to the purely diffusive dynamics for the entire chain at $\tau_2 \sim L^{5/2}$. We confirm the predictions of this scaling descr…

Coordination polymers undergoing spin crossover and reversible ligand exchange in the solid

2006

Here we report the synthesis and characterisation of a polymer made up of a system of parallel 2-D grids of Fe(II) ions linked by [Au(CN)2]– bridges and its transformation into a new system of three interpenetrated 3-D coordination open frameworks with the NbO topology. Reversibility of this crystal-to-crystal transformation is evidenced by X-ray crystallographic data and from their spin crossover properties. Real Cabezos, Jose Antonio, Jose.A.Real@uv.es