On the correct continuum limit of the functional-integral representation for the four-slave-boson approach to the Hubbard model: Paramagnetic phase

The Hubbard model with finite on-site repulsion U is studied via the functional-integral formulation of the four-slave-boson approach by Kotliar and Ruckenstein. It is shown that a correct treatment of the continuum imaginary time limit (which is required by the very definition of the functional integral) modifies the free energy when fluctuation (1/N) corrections beyond mean-field are considered. Our analysis requires us to suitably interpret the Kotliar and Ruckenstein choice for the bosonic hopping operator and to abandon the commonly used normal-ordering prescription, in order to obtain meaningful fluctuation corrections. In this way we recover the exact solution at U=0 not only at the mean-field level but also at the next order in 1/N. In addition, we consider alternative choices for the bosonic hopping operator and test them numerically for a simple two-site model for which the exact solution is readily available for any U. We also discuss how the 1/N expansion can be formally generalized to the four-slave-boson approach, and provide a simplified prescription to obtain the additional terms in the free energy which result at the order 1/N from the correct continuum limit.Comment: Changes: Printing problems (due to non-standard macros) have been removed, 44 page

Rare-earth impurities in Co2_2MnSi: an opportunity to improve Half-Metallicity at finite temperatures

We analyse the effects of doping Holmium impurities into the full-Heusler ferromagnetic alloy Co$_2$MnSi. Experimental results, as well as theoretical calculations within Density Functional Theory in the "Local Density Approximation plus Hubbard U" framework show that the holmium moment is aligned antiparallely to that of the transition metal atoms. According to the electronic structure calculations, substituting Ho on Co sites introduces a finite density of states in the minority spin gap, while substitution on the Mn sites preserves the half-metallic character.Comment: 22 pages, 8 figures. published in PR

Clustering of Lyman-alpha Emitters Around Quasars at z∼4z\sim4

The strong observed clustering of $z>3.5$ quasars indicates they are hosted by massive ($M_{\rm{halo}}\gtrsim10^{12}\,h^{-1}\,\rm{M_{\odot}}$) dark matter halos. Assuming quasars and galaxies trace the same large-scale structures, this should also manifest as strong clustering of galaxies around quasars. Previous work on high-redshift quasar environments, mostly focused at $z>5$, have failed to find convincing evidence for these overdensities. Here we conduct a survey for Lyman alpha emitters (LAEs) in the environs of 17 quasars at $z\sim4$ probing scales of $R\lesssim7\,h^{-1}\,{\rm{Mpc}}$. We measure an average LAE overdensity around quasars of 1.4 for our full sample, which we quantify by fitting the quasar-LAE cross-correlation function. We find consistency with a power-law shape with correlation length of $r^{QG}_{0}=2.78^{+1.16}_{-1.05}\,h^{-1}\,{\rm{cMpc}}$ for a fixed slope of $\gamma=1.8$. We also measure the LAE auto-correlation length and find $r^{GG}_{0}=9.12^{+1.32}_{-1.31}\,h^{-1}$\,cMpc ($\gamma=1.8$), which is $3.3$ times higher than the value measured in blank fields. Taken together our results clearly indicate that LAEs are significantly clustered around $z\sim4$ quasars. We compare the observed clustering with the expectation from a deterministic bias model, whereby LAEs and quasars probe the same underlying dark matter overdensities, and find that our measurements fall short of the predicted overdensities by a factor of 2.1. We discuss possible explanations for this discrepancy including large-scale quenching or the presence of excess dust in galaxies near quasars. Finally, the large cosmic variance from field-to-field observed in our sample (10/17 fields are actually underdense) cautions one from over-interpreting studies of $z\sim6$ quasar environments based on a single or handful of quasar fields.Comment: 19 pages, 12 figures, submitted to the Ap

Extended self-energy functional approach for strongly-correlated lattice bosons in the superfluid phase

Among the various numerical techniques to study the physics of strongly correlated quantum many-body systems, the self-energy functional approach (SFA) has become increasingly important. In its previous form, however, SFA is not applicable to Bose-Einstein condensation or superfluidity. In this paper we show how to overcome this shortcoming. To this end we identify an appropriate quantity, which we term $D$, that represents the correlation correction of the condensate order parameter, as it does the self-energy for the Green's function. An appropriate functional is derived, which is stationary at the exact physical realizations of $D$ and of the self-energy. Its derivation is based on a functional-integral representation of the grand potential followed by an appropriate sequence of Legendre transformations. The approach is not perturbative and therefore applicable to a wide range of models with local interactions. We show that the variational cluster approach based on the extended self-energy functional is equivalent to the "pseudoparticle" approach introduced in Phys. Rev. B, 83, 134507 (2011). We present results for the superfluid density in the two-dimensional Bose-Hubbard model, which show a remarkable agreement with those of Quantum-Monte-Carlo calculations.Comment: 1 additional figure showing the region close to the tip of the Mott lobe, minor changes in the tex

Renormalized SO(5) symmetry in ladders with next-nearest-neighbor hopping

We study the occurrence of SO(5) symmetry in the low-energy sector of two-chain Hubbard-like systems by analyzing the flow of the running couplings ($g$-ology) under renormalization group in the weak-interaction limit. It is shown that SO(5) is asymptotically restored for low energies for rather general parameters of the bare Hamiltonian. This holds also with inclusion of a next-nearest-neighbor hopping which explicitly breaks particle-hole symmetry provided one accounts for a different single-particle weight for the quasiparticles of the two bands of the system. The physical significance of this renormalized SO(5) symmetry is discussed.Comment: Final version: to appear in Phys. Rev. Lett., sched. Mar. 9

Variational cluster approach to the Hubbard model: Phase-separation tendency and finite-size effects

Using the variational cluster approach (VCA), we study the transition from the antiferromagnetic to the superconducting phase of the two-dimensional Hubbard model at zero temperature. Our calculations are based on a new method to evaluate the VCA grand potential which employs a modified Lanczos algorithm and avoids integrations over the real or imaginary frequency axis. Thereby, very accurate results are possible for cluster sizes not accessible to full diagonalization. This is important for an improved treatment of short-range correlations, including correlations between Cooper pairs in particular. We investigate the cluster-size dependence of the phase-separation tendency that has been proposed recently on the basis of calculations for smaller clusters. It is shown that the energy barrier driving the phase separation decreases with increasing cluster size. This supports the conjecture that the ground state exhibits microscopic inhomogeneities rather than macroscopic phase separation. The evolution of the single-particle spectum as a function of doping is studied in addtion and the relevance of our results for experimental findings is pointed out.Comment: 7 pages, 6 figures, published versio

Titanium Nitride - a correlated metal at the threshold of a Mott transition

We investigate electron correlation effects in stoichiometric Titanium Nitride (TiN) using a combination of electronic structure and many-body calculations. In a first step, the Nth-order muffin tin orbital technique is used to obtain parameters for the low-energy Hamiltonian in the Ti-d(t2g)-band manifold. The Coulomb-interaction U and the Hund's rule exchange parameter J are estimated using a constrained Local-Density-Approximation calculation. Finally, the many-body problem is solved within the framework of the Variational Cluster Approach. Comparison of our calculations with different spectroscopy results stresses the importance of electronic correlation in this material. In particular, our results naturally explain a suppression of the TiN density of states at the Fermi level (pseudogap) in terms of the proximity to a Mott metal-insulator transition.Comment: 9 pages, submitted to PR

Half-Metallic Ferromagnetism and the spin polarization in CrO2_2

We present electronic structure calculations in combination with local and non-local many-body correlation effects for the half-metallic ferromagnet CrO$_2$. Finite-temperature Dynamical Mean Field Theory results show the existence of non-quasiparticle states, which were recently observed as almost currentless minority spin states near the Fermi energy in resonant scattering experients. At zero temperatures, Variational Cluster Approach calculations support the half-metallic nature of CrO$_2$ as seen in superconducting point contact spectroscopy. The combination of these two techniques allowed us to qualitatively describe the spin-polarization in CrO$_2$.Comment: 5 pages, 3 figure

Excitation spectrum in two-dimensional superfluid ⁴He

In this work we perform an ab-initio study of an ideal two-dimensional sample of ⁴He atoms, a model for ⁴He films adsorbed on several kinds of substrates. Starting from a realistic hamiltonian we face the microscopic study of the excitation phonon–roton spectrum of the system at zero temperature. Our approach relies on path integral ground state Monte Carlo projection methods, allowing to evaluate exactly the dynamical density correlation functions in imaginary time, and this gives access to the dynamical structure factor of the system S(q, ), containing information about the excitation spectrum E(q), resulting in sharp peaks in S(q, ). The actual evaluation of S(q, ) requires the inversion of the Laplace transform in ill-posed conditions, which we face via the genetic inversion via falsification of theories technique. We explore the full density range from the region of spinodal decomposition to the freezing density, i.e., 0.0321 Å⁻² – 0.0658 Å⁻². In particular we follow the density dependence of the excitation spectrum, focusing on the low-wave vector behavior of E(q), the roton dispersion, the strength of single quasiparticle peak, Z(q), and the static density response function, (q). As the density increases, the dispersion E(q) at low-wave vector changes from a superlinear (anomalous dispersion) trend to a sublinear (normal dispersion) one, anticipating the crystallization of the system; at the same time the maxon–roton structure, which is barely visible at low density, becomes well developed at high densities and the roton wave vector has a strong density dependence. Connection is made with recent inelastic neutron scattering results from highly ordered silica nanopores partially filled with ⁴He

Phase diagram and single-particle spectrum of CuO2_2 layers within a variational cluster approach to the 3-band Hubbard model

We carry out a detailed numerical study of the three-band Hubbard model in the underdoped region both in the hole- as well as in the electron-doped case by means of the variational cluster approach. Both the phase diagram and the low-energy single-particle spectrum are very similar to recent results for the single-band Hubbard model with next-nearest-neighbor hoppings. In particular, we obtain a mixed antiferromagnetic+superconducting phase at low doping with a first-order transition to a pure superconducting phase accompanied by phase separation. In the single-particle spectrum a clear Zhang-Rice singlet band with an incoherent and a coherent part can be seen, in which holes enter upon doping around $(\pi/2,\pi/2)$. The latter is very similar to the coherent quasi-particle band crossing the Fermi surface in the single-band model. Doped electrons go instead into the upper Hubbard band, first filling the regions of the Brillouin zone around $(\pi,0)$. This fact can be related to the enhanced robustness of the antiferromagnetic phase as a function of electron doping compared to hole doping.Comment: 14 pages, 15 eps figure