Competition between antiferromagnetic and charge density wave fluctuations in the extended Hubbard model

By extending our {\it victory} implementation of the parquet approach to include non-local Coulomb interactions, we study the extended Hubbard model on the two-dimensional square lattice with a particular focus on the competition of the non-local charge and spin fluctuations. Surprisingly, we find that their competition, as the mechanism driving the phase transition towards the charge density wave, dominates only in a very narrow parameter regime in the immediate vicinity of the phase transition. Due to the special geometry and the Fermi surface topology of the square lattice, antiferromagnetic fluctuations dominate even for sizable next-nearest neighbor interactions. Our conclusions are based on the consistent observations in both the single- and two- particle quantities, including the self-energy, the single-particle spectral function, the two-particle susceptibility, the density-density vertex function and the optical conductivity. Our work unbiasedly establishes the connection of these quantities to the charge fluctuations, and the way of interpretation can be readily applied to any many-body method with access to the two-particle vertex.Comment: 10 pages, 6 figure

Efficient implementation of the parquet equations -- role of the reducible vertex function and its kernel approximation

We present an efficient implementation of the parquet formalism which respects the asymptotic structure of the vertex functions at both single- and two-particle levels in momentum- and frequency-space. We identify the two-particle reducible vertex as the core function which is essential for the construction of the other vertex functions. This observation stimulates us to consider a two-level parameter-reduction for this function to simplify the solution of the parquet equations. The resulting functions, which depend on fewer arguments, are coined "kernel functions". With the use of the "kernel functions", the open boundary of various vertex functions in the Matsubara-frequency space can be faithfully satisfied. We justify our implementation by accurately reproducing the dynamical mean-field theory results from momentum-independent parquet calculations. The high-frequency asymptotics of the single-particle self-energy and the two-particle vertex are correctly reproduced, which turns out to be essential for the self-consistent determination of the parquet solutions. The current implementation is also feasible for the dynamical vertex approximation.Comment: 12 pages, 11 figure

Quantum Anomalous Hall State in Ferromagnetic SrRuO3_3 (111) Bilayers

SrRuO$_3$ heterostructures grown in the (111) direction are a rare example of thin film ferromagnets. By means of density functional theory plus dynamical mean field theory we show that the half-metallic ferromagnetic state with an ordered magnetic moment of 2$\mu_{B}$/Ru survives the ultimate dimensional confinement down to a bilayer, even at elevated temperatures of 500$\,$K. In the minority channel, the spin-orbit coupling opens a gap at the linear band crossing corresponding to $\frac34$ filling of the $t_{2g}$ shell. We demonstrate that the respective state is Haldane's quantum anomalous Hall state with Chern number $C$=1, without an external magnetic field or magnetic impurities.Comment: 5 pages, 3 figure

Momentum structure of the self-energy and its parametrization for the two-dimensional Hubbard model

We compute the self-energy for the half-filled Hubbard model on a square lattice using lattice quantum Monte Carlo simulations and the dynamical vertex approximation. The self-energy is strongly momentum dependent, but it can be parametrized via the non-interacting energy-momentum dispersion $\varepsilon_{\mathbf{k}}$, except for pseudogap features right at the Fermi edge. That is, it can be written as $\Sigma(\varepsilon_{\mathbf{k}},\omega)$, with two energy-like parameters ($\varepsilon$, $\omega$) instead of three ($k_x$, $k_y$ and $\omega$). The self-energy has two rather broad and weakly dispersing high energy features and a sharp $\omega= \varepsilon_{\mathbf{k}}$ feature at high temperatures, which turns to $\omega= -\varepsilon_{\mathbf{k}}$ at low temperatures. Altogether this yields a Z- and reversed-Z-like structure, respectively, for the imaginary part of $\Sigma(\varepsilon_{\mathbf{k}},\omega)$. We attribute the change of the low energy structure to antiferromagnetic spin fluctuations.Comment: 13 pages, 11 figure

Response of irradiated and bystander cells to charged particles in two-dimensional and three-dimensional colon models

The radiation-induced bystander effect, wherein unirradiated cells near to or sharing medium with irradiated cells express biological responses, most often has been studied in two-dimensional monolayer cultures, although some studies with three-dimensional models and in vivo have also shown bystander signaling. We have shown previously that DNA damage, measured as foci of the DNA repair-related protein 53BP1, occurs in unirradiated bystander cells in a three-dimensional skin epithelium model irradiated with protons or iron ions (Lumpkins et al., submitted). In the current work, we extend the studies to a second epithelial model, colon, with studies in both two-dimensional monolayer and a three-dimensional tissue model using Caco2 human colon epithelial cancer cells and AG01522 human fibroblasts. For the monolayer studies, Caco2 cells in exponential growth were irradiated then co-cultured, sharing medium in an insert system, with unirradiated cells. Cells were irradiated with 250 kVp X-rays at Massachusetts General Hospital or with 1 GeV/amu protons, silicon ions or iron ions at the National Space Radiation Laboratory at Brookhaven National Laboratory. At varying times after irradiation, cell damage was assayed as micronuclei (MN) induction or formation of 53BP1 foci in both irradiated and bystander cells. For the three-dimensional studies, AG01522 fibroblasts were embedded in a collagen gel, then Caco2 cells were grown on the top of the gel. Each three-dimensional construct was cut in half prior to irradiation, with one half irradiated then immediately placed in contact with the other, bystander, half for co-culture. At selected times after irradiation, irradiated and bystander construct halves were fixed and sectioned, and 53BP1 foci were counted. In monolayer culture, irradiated Caco2 cells showed a dose-dependent increased fraction of cells with MN after exposure to X-rays, protons, iron ions or silicon ions. Bystander Caco2 cells sharing medium with the irradiated cells also showed an increased fraction of cells with MN, reaching similar levels of ∼16% cells with MN, about a threefold increase over controls, after 1 Gy of all types of radiation. The fraction of cells with 53BP1 foci depended on radiation type and time of assay after irradiation, with the induction of foci generally greatest 5 h after irradiation and increasing with radiation dose. In bystander Caco2 cells, the appearance of foci generally was delayed, with the maximal fraction of cells showing foci at 12 h. In three-dimensional culture, after X-ray or proton exposure, cells showed similar trends to those seen in two-dimensional growth, i.e. with both the Caco2 and the AG01522 cells, the fraction of irradiated cells having 53BP1 foci reached a maximum at 5 h, but with bystander cells, the maximum occurred at 12 h after irradiation. This delay in the appearance of foci in bystander cells compared with irradiated cells is similar to our findings in the three-dimensional skin model composed of keratinocytes and fibroblasts. In summary, our data now show in two different epithelial tissue models in both two-dimensional and three-dimensional models, radiation-stimulated intercellular signaling results in substantial levels of DNA damage in unirradiated cells. Because Caco2 cells are a carcinoma cell line, the studies are now being extended to a three-dimensional colon model using normal human colonic epithelial cells

Water vapor and the dynamics of climate changes

Water vapor is not only Earth's dominant greenhouse gas. Through the release of latent heat when it condenses, it also plays an active role in dynamic processes that shape the global circulation of the atmosphere and thus climate. Here we present an overview of how latent heat release affects atmosphere dynamics in a broad range of climates, ranging from extremely cold to extremely warm. Contrary to widely held beliefs, atmospheric circulation statistics can change non-monotonically with global-mean surface temperature, in part because of dynamic effects of water vapor. For example, the strengths of the tropical Hadley circulation and of zonally asymmetric tropical circulations, as well as the kinetic energy of extratropical baroclinic eddies, can be lower than they presently are both in much warmer climates and in much colder climates. We discuss how latent heat release is implicated in such circulation changes, particularly through its effect on the atmospheric static stability, and we illustrate the circulation changes through simulations with an idealized general circulation model. This allows us to explore a continuum of climates, constrain macroscopic laws governing this climatic continuum, and place past and possible future climate changes in a broader context.Comment: 22 pages, 11 figure

Thermodynamics of RNA/DNA hybridization in high density oligonucleotide microarrays

We analyze a series of publicly available controlled experiments (Latin square) on Affymetrix high density oligonucleotide microarrays using a simple physical model of the hybridization process. We plot for each gene the signal intensity versus the hybridization free energy of RNA/DNA duplexes in solution, for perfect matching and mismatching probes. Both values tend to align on a single master curve in good agreement with Langmuir adsorption theory, provided one takes into account the decrease of the effective target concentration due to target-target hybridization in solution. We give an example of a deviation from the expected thermodynamical behavior for the probe set 1091\_at due to annotation problems, i.e. the surface-bound probe is not the exact complement of the target RNA sequence, because of errors present in public databases at the time when the array was designed. We show that the parametrization of the experimental data with RNA/DNA free energy improves the quality of the fits and enhances the stability of the fitting parameters compared to previous studies.Comment: 11 pages, 16 figures - final version as publishe

Dynamical screening in strongly correlated metal SrVO3

The consequences of dynamical screening of Coulomb interaction among correlated electrons in realistic materials have not been widely considered before. In this letter we try to incorporate a frequency dependent Coulomb interaction into the state-of-the-art ab initio electronic structure computing framework of local density approximation plus dynamical mean-field theory, and then choose SrVO3 as a prototype material to demonstrate the importance of dynamical screening effect. It is shown to renormalise the spectral weight near the Fermi level, to increase the effective mass, and to suppress the t2g quasiparticle band width apparently. The calculated results are in accordance with very recent angle-resolved photoemission spectroscopy experiments and Bose factor ansatz calculations.Comment: 6 pages, 4 figures. arXiv admin note: text overlap with arXiv:1107.312