Density functional theory versus quantum Monte Carlo simulations of Fermi gases in the optical-lattice arena

We benchmark the ground state energies and the density profiles of atomic repulsive Fermi gases in optical lattices (OLs) computed via density functional theory (DFT) against the results of diffusion Monte Carlo (DMC) simulations. The main focus is on a half-filled one-dimensional OLs, for which the DMC simulations performed within the fixed-node approach provide unbiased results. This allows us to demonstrate that the local spin-density approximation (LSDA) to the exchange-correlation functional of DFT is very accurate in the weak and intermediate interactions regime, and also to underline its limitations close to the strongly-interacting Tonks–Girardeau limit and in very deep OLs. We also consider a three-dimensional OL at quarter filling, showing also in this case the high accuracy of the LSDA in the moderate interaction regime. The one-dimensional data provided in this study may represent a useful benchmark to further develop DFT methods beyond the LSDA and they will hopefully motivate experimental studies to accurately measure the equation of state of Fermi gases in higher-dimensional geometries.     

The effect of quenched bond disorder on first-order phase transitions

We investigate the effect of quenched bond disorder on the two-dimensional three-color Ashkin–Teller model, which undergoes a first-order phase transition in the absence of impurities. This is one of the simplest and striking models in which quantitative numerical simulations can be carried out to investigate emergent criticality due to disorder rounding of first-order transition. Utilizing extensive cluster Monte Carlo simulations on large lattice sizes of up to 128×128$128\times 128$ spins, each of which is represented by three colors taking values ±1$\pm 1$, we show that the rounding of the first-order phase transition is an emergent criticality. We further calculate the correlation length critical exponent, ν$\nu$, and the magnetization critical exponent, β$\beta$, from finite size scaling analysis. We find that the critical exponents, ν$\nu$ and β$\beta$, change as the strength of disorder or the four-spin coupling varies, and we show that the critical exponents appear not to be in the Ising universality class. We know of no analytical approaches that can explain our non-perturbative results. However our results should inspire further work on this important problem, either numerical or analytical.     

Synthesis and Diels-Alder Reactions of a New Kind of Chiral Dienophiles: Cyclic Vinyl-p-tolylsulfilimines

A new kind of chiral dienophiles, cyclic vinyl-p-tolylsulfilimines (2a and 2b), were obtained from the corresponding (Z)-sulfinylacrylonitriles with HBF(4) and methanol. The asymmetric Diels-Alder reaction of optically pure 2a with cyclopentadiene under mild thermal or catalyzed conditions afforded only the endo-4a adduct with complete endo and pi-facial selectivities. The ability of the sulfilimine moiety to enhance the dienophilic reactivity of the double bond is similar to that of the sulfinyl group.     

Zeros of the Whittaker function associated to Coulomb waves

The zeros in the complex z plane of the Whittaker function W_c/z,µ(z),closely related to spherical waves in the quantum-mechanicalCoulomb problem, are investigated for varying real values ofthe parameters c and µ     

Broken time-reversal symmetry in strongly correlated ladder structures

We provide, for the first time, in a doped strongly correlated system (two-leg ladder), a controlled theoretical demonstration of the existence of a state in which long-range ordered orbital currents are arranged in a staggered pattern, coexisting with a charge density wave. The method used is the highly accurate density-matrix renormalization group technique. This brings us closer to recent proposals that this order is realized in the enigmatic pseudogap phase of the cuprate high temperature superconductors.     

Li2VO(Si,Ge)O4, a prototype of a two-dimensional frustrated quantum heisenberg antiferromagnet

NMR and magnetization measurements in Li2VOSiO4 and Li2VOGeO4 are reported. The analysis of the susceptibility shows that both compounds are two-dimensional S = 1/2 Heisenberg antiferromagnets on a square lattice with a sizable frustration induced by the competition between the superexchange couplings J1 along the sides of the square and J2 along the diagonal. Li2VOSiO4 undergoes a low-temperature phase transition to a collinear order, as theoretically predicted for J2/J1>0.5. Just above the magnetic transition the degeneracy between the two collinear ground states is lifted by the onset of a structural distortion.     

Spin orthogonality catastrophe in two-dimensional antiferromagnets and superconductors

We compute the spectral function of a spin S hole injected into a two-dimensional antiferromagnet or superconductor in the vicinity of a magnetic quantum critical point. We show that, near Van Hove singularities, the problem maps onto that of a static vacancy carrying excess spin S. The hole creation operator is characterized by a new boundary anomalous dimension and a vanishing quasiparticle residue at the critical point. We discuss possible relevance to photoemission spectra of cuprate superconductors near the antinodal points.     

Universal conductance of nanowires near the superconductor-metal quantum transition

We consider wires near a zero temperature transition between superconducting and metallic states. The critical theory obeys hyperscaling, which leads to a universal frequency, temperature, and length dependence of the conductance; quantum and thermal phase slips are contained within this critical theory. Normal, superconducting, and mixed (SN) leads on the wire determine distinct universality classes. For the SN case, wires near the critical point have a universal dc conductance which is independent of the length of the wire at low temperatures.