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

Correlated band structure of electron-doped cuprate materials

We present a numerical study of the doping dependence of the spectral function of the n-type cuprates. Using a variational cluster-perturbation theory approach based upon the self-energy-functional theory, the spectral function of the electron-doped two-dimensional Hubbard model is calculated. The model includes the next-nearest neighbor electronic hopping amplitude $t'$ and a fixed on-site interaction $U=8t$ at half filling and doping levels ranging from $x=0.077$ to $x=0.20$. Our results support the fact that a comprehensive description of the single-particle spectrum of electron-doped cuprates requires a proper treatment of strong electronic correlations. In contrast to previous weak-coupling approaches, we obtain a consistent description of the ARPES experiments without the need to introduce a doping-dependent on-site interaction $U$.Comment: 7 pages 4 eps figure

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

Spin-wave spectrum of a two-dimensional itinerant electron system: Analytic results for the incommensurate spiral phase in the strong-coupling limit

We study the zero-temperature spin fluctuations of a two-dimensional itinerant-electron system with an incommensurate magnetic ground state described by a single-band Hubbard Hamiltonian. We introduce the (broken-symmetry) magnetic phase at the mean-field (Hartree-Fock) level through a \emph{spiral spin configuration} with characteristic wave vector \gmathbf{Q} different in general from the antiferromagnetic wave vector \gmathbf{Q_{AF}}, and consider spin fluctuations over and above it within the electronic random-phase (RPA) approximation. We obtain a \emph{closed} system of equations for the generalized wave vector and frequency dependent susceptibilities, which are equivalent to the ones reported recently by Brenig. We obtain, in addition, analytic results for the spin-wave dispersion relation in the strong-coupling limit of the Hubbard Hamiltonian and find that at finite doping the spin-wave dispersion relation has a \emph{hybrid form} between that associated with the (localized) Heisenberg model and that associated with the (long-range) RKKY exchange interaction. We also find an instability of the spin-wave spectrum in a finite region about the center of the Brillouin zone, which signals a physical instability toward a different spin- or, possibly, charge-ordered phase, as, for example, the stripe structures observed in the high-Tc materials. We expect, however, on physical grounds that for wave vectors external to this region the spin-wave spectrum that we have determined should survive consideration of more sophisticated mean-field solutions.Comment: 30 pages, 4 eps figure

Systematic numerical study of spin-charge separation in one dimension

The problem of spin-charge separation is analyzed numerically in the metallic phase of the one-band Hubbard model in one dimension by studying the behavior of the single-particle Green's function and of the spin and charge susceptibilities. We first analyze the Quantum-Monte Carlo data for the imaginary-time Green's function within the Maximum Entropy method in order to obtain the spectral function at real frequencies. For some values of the momentum sufficiently away from the Fermi surface two separate peaks are found, which can be identified as charge and spin excitations. In order to improve our accuracy and to be able to extend our study to a larger portion of the Brillouin zone, we also fit our data with the imaginary-time Green's function obtained from the Luttinger-model solution with two different velocities as fitting parameters. The excitation energies associated with these velocities turn out to agree, in a broad range of momenta, with the ones calculated from the charge and spin susceptibilities. This allows us to identify these single-particle excitations as due to a separation of spin and charge. Remarkably, the range of momenta where spin-charge separation is seen extends well beyond the region of linear dispersion about the Fermi surface. We finally discuss a possible extension of our method to detect spin-charge separation numerically in two dimensions.Comment: 7 pages, 10 figures. Final version to appear in Phys. Rev. B. Minor misprints correcte

Phase separation and competition of superconductivity and magnetism in the two-dimensional Hubbard model: From strong to weak coupling

Cooperation and competition between the antiferromagnetic, d-wave superconducting and Mott-insulating states are explored for the two-dimensional Hubbard model including nearest and next-nearest-neighbor hoppings at zero temperature. Using the variational cluster approach with clusters of different shapes and sizes up to 10 sites, it is found that the doping-driven transition from a phase with microscopic coexistence of antiferromagnetism and superconductivity to a purely superconducting phase is discontinuous for strong interaction and accompanied by phase separation. At half-filling the system is in an antiferromagnetic Mott-insulating state with vanishing charge compressibility. Upon decreasing the interaction strength U below a certain critical value of roughly U=4 (in units of the nearest-neighbor hopping), however, the filling-dependent magnetic transition changes its character and becomes continuous. Phase separation or, more carefully, the tendency towards the formation of inhomogeneous states disappears. This critical value is in contrast to previous studies, where a much larger value was obtained. Moreover, we find that the system at half-filling undergoes the Mott transition from an insulator to a state with a finite charge compressibility at essentially the same value. The weakly correlated state at half-filling exhibits superconductivity microscopically admixed to the antiferromagnetic order. This scenario suggests a close relation between phase separation and the Mott-insulator physics.Comment: 7 pages, 8 figures, revised version to be published in Phys. Rev.