Competition and coexistence of bond and charge orders in (TMTTF)2AsF6

(TMTTF)2AsF6 undergoes two phase transitions upon cooling from 300 K. At Tco=103 K a charge-ordering (CO) occurs, and at Tsp(B=9 T)=11 K the material undergoes a spin-Peierls (SP) transition. Within the intermediate, CO phase, the charge disproportionation ratio is found to be at least 3:1 from carbon-13 NMR 1/T1 measurements on spin-labeled samples. Above Tsp, up to about 3Tsp, 1/T1 is independent of temperature, indicative of low-dimensional magnetic correlations. With the application of about 0.15 GPa pressure, Tsp increases substantially, while Tco is rapidly suppressed, demonstrating that the two orders are competing. The experiments are compared to results obtained from calculations on the 1D extended Peierls-Hubbard model.Comment: 4 pages, 5 figure

Peierls transition in the presence of finite-frequency phonons in the one-dimensional extended Peierls-Hubbard model at half-filling

We report quantum Monte Carlo (stochastic series expansion) results for the transition from a Mott insulator to a dimerized Peierls insulating state in a half-filled, 1D extended Hubbard model coupled to optical bond phonons. Using electron-electron (e-e) interaction parameters corresponding approximately to polyacetylene, we show that the Mott-Peierls transition occurs at a finite value of the electron-phonon (e-ph) coupling. We discuss several different criteria for detecting the transition and show that they give consistent results. We calculate the critical e-ph coupling as a function of the bare phonon frequency and also investigate the sensitivity of the critical coupling to the strength of the e-e interaction. In the limit of strong e-e couplings, we map the model to a spin-Peierls chain and compare the phase boundary with previous results for the spin-Peierls transition. We point out effects of a nonlinear spin-phonon coupling neglected in the mapping to the spin-Peierls model.Comment: 7 pages, 5 figure

Density-matrix renormalisation group approach to quantum impurity problems

A dynamic density-matrix renormalisation group approach to the spectral properties of quantum impurity problems is presented. The method is demonstrated on the spectral density of the flat-band symmetric single-impurity Anderson model. We show that this approach provides the impurity spectral density for all frequencies and coupling strengths. In particular, Hubbard satellites at high energy can be obtained with a good resolution. The main difficulties are the necessary discretisation of the host band hybridised with the impurity and the resolution of sharp spectral features such as the Abrikosov-Suhl resonance.Comment: 16 pages, 6 figures, submitted to Journal of Physics: Condensed Matte

Dynamical mean-field approach to materials with strong electronic correlations

We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the dynamical mean-field theory (DMFT). The application to four outstanding problems in this field is discussed: (i) we compute the full valence band structure of the charge-transfer insulator NiO by explicitly including the p-d hybridization, (ii) we explain the origin for the simultaneously occuring metal-insulator transition and collapse of the magnetic moment in MnO and Fe2O3, (iii) we describe a novel GGA+DMFT scheme in terms of plane-wave pseudopotentials which allows us to compute the orbital order and cooperative Jahn-Teller distortion in KCuF3 and LaMnO3, and (iv) we provide a general explanation for the appearance of kinks in the effective dispersion of correlated electrons in systems with a pronounced three-peak spectral function without having to resort to the coupling of electrons to bosonic excitations. These results provide a considerable progress in the fully microscopic investigations of correlated electron materials.Comment: 24 pages, 14 figures, final version, submitted to Eur. Phys. J. for publication in the Special Topics volume "Cooperative Phenomena in Solids: Metal-Insulator Transitions and Ordering of Microscopic Degrees of Freedom

Dynamical Mean-Field Theory

The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular, the combination of the DMFT with conventional methods for the calculation of electronic band structures has led to a powerful numerical approach which allows one to explore the properties of correlated materials. In this introductory article we discuss the foundations of the DMFT, derive the underlying self-consistency equations, and present several applications which have provided important insights into the properties of correlated matter.Comment: Chapter in "Theoretical Methods for Strongly Correlated Systems", edited by A. Avella and F. Mancini, Springer (2011), 31 pages, 5 figure

Standalone vertex finding in the ATLAS muon spectrometer

A dedicated reconstruction algorithm to find decay vertices in the ATLAS muon spectrometer is presented. The algorithm searches the region just upstream of or inside the muon spectrometer volume for multi-particle vertices that originate from the decay of particles with long decay paths. The performance of the algorithm is evaluated using both a sample of simulated Higgs boson events, in which the Higgs boson decays to long-lived neutral particles that in turn decay to bbar b final states, and pp collision data at √s = 7 TeV collected with the ATLAS detector at the LHC during 2011

Measurements of Higgs boson production and couplings in diboson final states with the ATLAS detector at the LHC

Measurements are presented of production properties and couplings of the recently discovered Higgs boson using the decays into boson pairs, H →γ γ, H → Z Z∗ →4l and H →W W∗ →lνlν. The results are based on the complete pp collision data sample recorded by the ATLAS experiment at the CERN Large Hadron Collider at centre-of-mass energies of √s = 7 TeV and √s = 8 TeV, corresponding to an integrated luminosity of about 25 fb−1. Evidence for Higgs boson production through vector-boson fusion is reported. Results of combined fits probing Higgs boson couplings to fermions and bosons, as well as anomalous contributions to loop-induced production and decay modes, are presented. All measurements are consistent with expectations for the Standard Model Higgs boson