Biaxial order parameter in the homologous series of orthogonal bent-core smectic liquid crystals

The fundamental parameter of the uniaxial liquid crystalline state that governs nearly all of its physical properties is the primary orientational order parameter (S) for the long axes of molecules with respect to the director. The biaxial liquid crystals (LCs) possess biaxial order parameters depending on the phase symmetry of the system. In this paper we show that in the first approximation a biaxial orthogonal smectic phase can be described by two primary order parameters: S for the long axes and C for the ordering of the short axes of molecules. The temperature dependencies of S and C are obtained by the Haller's extrapolation technique through measurements of the optical birefringence and biaxiality on a nontilted polar antiferroelectric (Sm-APA) phase of a homologous series of LCs built from the bent-core achiral molecules. For such a biaxial smectic phase both S and C, particularly the temperature dependency of the latter, are being experimentally determined. Results show that S in the orthogonal smectic phase composed of bent cores is higher than in Sm-A calamatic LCs and C is also significantly large

Effective three-particle interactions in low-energy models for multiband systems

We discuss different approximations for effective low-energy interactions in multi-band models for weakly correlated electrons. In the study of Fermi surface instabilities of the conduction band(s), the standard approximation consists only keeping those terms in the bare interactions that couple only to the conduction band(s), while corrections due to virtual excitations into bands away from the Fermi surface are typically neglected. Here, using a functional renormalization group approach, we present an improved truncation for the treatment of the effective interactions in the conduction band that keeps track of the generated three-particle interactions (six-point term) and hence allows one to include important aspects of these virtual interband excitations. Within a simplified two-patch treatment of the conduction band, we demonstrate that these corrections can have a rather strong effect in parts of the phase diagram by changing the critical scales for various orderings and the phase boundaries.Comment: revised version, 16 pages, 13 figure

Model granularity and related concepts

Models are integral to engineering design and basis for many decisions. Therefore, it is necessary to comprehend how a model’s properties might influence its behaviour. Model granularity is an important property but has so far only received limited attention. The terminology used to describe granularity and related phenomena varies and pertinent concepts are distributed across communities. This article positions granularity in the theoretical background of models, collects formal definitions for relevant terms from a range of communities and discusses the implications for engineering design

Superconductivity in striped and multi-Fermi-surface Hubbard models: From the cuprates to the pnictides

Single- and multi-band Hubbard models have been found to describe many of the complex phenomena that are observed in the cuprate and iron-based high-temperature superconductors. Simulations of these models therefore provide an ideal framework to study and understand the superconducting properties of these systems and the mechanisms responsible for them. Here we review recent dynamic cluster quantum Monte Carlo simulations of these models, which provide an unbiased view of the leading correlations in the system. In particular, we discuss what these simulations tell us about superconductivity in the homogeneous 2D single-orbital Hubbard model, and how charge stripes affect this behavior. We then describe recent simulations of a bilayer Hubbard model, which provides a simple model to study the type and nature of pairing in systems with multiple Fermi surfaces such as the iron-based superconductors.Comment: Published as part of Superstripes 2011 (Rome) conference proceeding

The role of string-like, supramolecular assemblies in reentrant supernematic liquid crystals

Using a combination of isothermal-isobaric Monte Carlo and microcanonical molecular dynamics we investigate the relation between structure and self-diffusion in various phases of a model liquid crystal using the Gay-Berne-Kihara potential. These molecules are confined to a mesoscopic slit-pore with atomically smooth substrate surfaces. As reported recently [see M. G. Mazza {\em et al.}, Phys. Rev. Lett. {\bf 105}, 227802 (2010)], a reentrant nematic (RN) phase may form at sufficiently high pressures/densities. This phase is characterized by a high degree of nematic order and a substantially enhanced self-diffusivity in the direction of the director $\hat{\bm{n}}$ which exceeds that of the lower-density nematic and an intermittent smectic A phase by about an order of magnitude. Here we demonstrate that the unique transport behavior in the RN phase may be linked to a confinement-induced packing effect which causes the formation of supramolecular, string-like conformations. The strings consist of several individual molecules that are capable of travelling in the direction of $\hat{\bm{n}}$ as individual "trains" consisting of chains of molecular "cars". Individual trains run in parallel and may pass each other at sufficiently high pressures.Comment: 24 page

Evolution of superconductivity in Fe-based systems with doping

We study the symmetry and the structure of the gap in Fe-based superconductors by decomposing the pairing interaction obtained in the RPA into s- and d-wave components and into contributions from scattering between different Fermi surfaces. We show that each interaction is well approximated by the lowest angular harmonics and use this simplification to analyze the origin of the attraction in the two channels, the competition between s- and d-wave solutions, and the origin of superconductivity in heavily doped systems, when only electron or only hole pockets are present.Comment: 4pp, 2 figures, 2 table

Efficient calculation of the antiferromagnetic phase diagram of the 3D Hubbard model

The Dynamical Cluster Approximation with Betts clusters is used to calculate the antiferromagnetic phase diagram of the 3D Hubbard model at half filling. Betts clusters are a set of periodic clusters which best reflect the properties of the lattice in the thermodynamic limit and provide an optimal finite-size scaling as a function of cluster size. Using a systematic finite-size scaling as a function of cluster space-time dimensions, we calculate the antiferromagnetic phase diagram. Our results are qualitatively consistent with the results of Staudt et al. [Eur. Phys. J. B 17 411 (2000)], but require the use of much smaller clusters: 48 compared to 1000

Systematic study of d-wave superconductivity in the 2D repulsive Hubbard model

The cluster size dependence of superconductivity in the conventional two-dimensional Hubbard model, commonly believed to describe high-temperature superconductors, is systematically studied using the Dynamical Cluster Approximation and Quantum Monte Carlo simulations as cluster solver. Due to the non-locality of the d-wave superconducting order parameter, the results on small clusters show large size and geometry effects. In large enough clusters, the results are independent of the cluster size and display a finite temperature instability to d-wave superconductivity.Comment: 4 pages, 3 figures; updated with version published in PRL; added values of Tc obtained from fit

Pseudogap and antiferromagnetic correlations in the Hubbard model

Using the dynamical cluster approximation and quantum monte carlo we calculate the single-particle spectra of the Hubbard model with next-nearest neighbor hopping $t'$. In the underdoped region, we find that the pseudogap along the zone diagonal in the electron doped systems is due to long range antiferromagnetic correlations. The physics in the proximity of $(0,\pi)$ is dramatically influenced by $t'$ and determined by the short range correlations. The effect of $t'$ on the low energy ARPES spectra is weak except close to the zone edge. The short range correlations are sufficient to yield a pseudogap signal in the magnetic susceptibility, produce a concomitant gap in the single-particle spectra near $(\pi,\pi/2)$ but not necessarily at a location in the proximity of Fermi surface.Comment: 5 pages, 4 figure