Re-examining the directional-ordering transition in the compass model with screw-periodic boundary conditions

We study the directional-ordering transition in the two-dimensional classical and quantum compass models on the square lattice by means of Monte Carlo simulations. An improved algorithm is presented which builds on the Wolff cluster algorithm in one-dimensional subspaces of the configuration space. This improvement allows us to study classical systems up to $L=512$. Based on the new algorithm we give evidence for the presence of strongly anomalous scaling for periodic boundary conditions which is much worse than anticipated before. We propose and study alternative boundary conditions for the compass model which do not make use of extended configuration spaces and show that they completely remove the problem with finite-size scaling. In the last part, we apply these boundary conditions to the quantum problem and present a considerably improved estimate for the critical temperature which should be of interest for future studies on the compass model. Our investigation identifies a strong one-dimensional magnetic ordering tendency with a large correlation length as the cause of the unusual scaling and moreover allows for a precise quantification of the anomalous length scale involved.Comment: 10 pages, 8 figures; version as publishe

Ab initio prediction of equilibrium boron isotope fractionation between minerals and aqueous fluids at high P and T

Over the last decade experimental studies have shown a large B isotope fractionation between materials carrying boron incorporated in trigonally and tetrahedrally coordinated sites, but the mechanisms responsible for producing the observed isotopic signatures are poorly known. In order to understand the boron isotope fractionation processes and to obtain a better interpretation of the experimental data and isotopic signatures observed in natural samples, we use first principles calculations based on density functional theory in conjunction with ab initio molecular dynamics and a new pseudofrequency analysis method to investigate the B isotope fractionation between B-bearing minerals (such as tourmaline and micas) and aqueous fluids containing H_3BO_3 and H_4BO_4- species. We confirm the experimental finding that the isotope fractionation is mainly driven by the coordination of the fractionating boron atoms and have found in addition that the strength of the produced isotopic signature is strongly correlated with the B-O bond length. We also demonstrate the ability of our computational scheme to predict the isotopic signatures of fluids at extreme pressures by showing the consistency of computed pressure-dependent beta factors with the measured pressure shifts of the B-O vibrational frequencies of H_3BO_3 and H_4BO_4- in aqueous fluid. The comparison of the predicted with measured fractionation factors between boromuscovite and neutral fluid confirms the existence of the admixture of tetrahedral boron species in neutral fluid at high P and T found experimentally, which also explains the inconsistency between the various measurements on the tourmaline-mica system reported in the literature. Our investigation shows that the calculated equilibrium isotope fractionation factors have an accuracy comparable to the experiments.Comment: 19 pages, 11 figures, Accepted for publication in Geochimica et Cosmochimica Act

Holographic field theory models of dark energy in interaction with dark matter

We discuss two lagrangian interacting dark energy models in the context of the holographic principle. The potentials of the interacting fields are constructed. The models are compared with CMB distance information, baryonic acoustic oscilations, lookback time and the Constitution supernovae sample. For both models the results are consistent with a non vanishing interaction between dark sectors - with more than three standard deviations of confidence for one of them. Moreover, in both cases, the sign of coupling is consistent with dark energy decaying into dark matter, alleviating the coincidence problem.Comment: arXiv admin note: substantial text overlap with arXiv:0912.399

CMB anisotropies from acausal scaling seeds

We investigate models where structure formation is initiated by scaling seeds: We consider rapidly expanding relativistic shells of energy and show that they can fit current CMB and large scale structure data if they expand with super-luminal velocities. These acausally expanding shells provide a viable alternative to inflation for cosmological structure formation with the same minimal number of parameters to characterize the initial fluctuations. Causally expanding shells alone cannot fit present data. Hybrid models where causal shells and inflation are mixed also provide good fits.Comment: 9 pages,13 figures, revised version accepted for publication in PR

Metal-insulator transition and strong-coupling spin liquid in the t−t′t{-}t^\prime Hubbard model

We study the phase diagram of the frustrated $t{-}t^\prime$ Hubbard model on the square lattice by using a novel variational wave function. Taking the clue from the backflow correlations that have been introduced long-time ago by Feynman and Cohen and have been used for describing various interacting systems on the continuum (like liquid $^3$He, the electron jellium, and metallic Hydrogen), we consider many-body correlations to construct a suitable approximation for the ground state of this correlated model on the lattice. In this way, a very accurate {\it ansatz} can be achieved both at weak and strong coupling. We present the evidence that an insulating and non-magnetic phase can be stabilized at strong coupling and sufficiently large frustrating ratio $t^\prime/t$.Comment: 8 pages, Proceedings of the HFM2008 Conferenc

Metal-insulator transition and strong-coupling spin liquid in the t−t′t{-}t^\prime Hubbard model

We study the phase diagram of the frustrated $t{-}t^\prime$ Hubbard model on the square lattice by using a novel variational wave function. Taking the clue from the backflow correlations that have been introduced long-time ago by Feynman and Cohen and have been used for describing various interacting systems on the continuum (like liquid $^3$He, the electron jellium, and metallic Hydrogen), we consider many-body correlations to construct a suitable approximation for the ground state of this correlated model on the lattice. In this way, a very accurate {\it ansatz} can be achieved both at weak and strong coupling. We present the evidence that an insulating and non-magnetic phase can be stabilized at strong coupling and sufficiently large frustrating ratio $t^\prime/t$.Comment: 8 pages, Proceedings of the HFM2008 Conferenc