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

Dynamical excitonic effects in metals and semiconductors

The dynamics of an electron--hole pair induced by the time--dependent screened Coulomb interaction is discussed. In contrast to the case where the static electron--hole interaction is considered we demonstrate the occurrence of important dynamical excitonic effects in the solution of the Bethe--Salpeter equation.This is illustrated in the calculated absorption spectra of noble metals (copper and silver) and silicon. Dynamical corrections strongly affect the spectra, partially canceling dynamical self--energy effects and leading to good agreement with experiment.Comment: Accepted for publication on Phys. Rev. Let

Range-separated density-functional theory with random phase approximation: detailed formalism and illustrative applications

Using Green-function many-body theory, we present the details of a formally exact adiabatic-connection fluctuation-dissipation density-functional theory based on range separation, which was sketched in Toulouse, Gerber, Jansen, Savin and Angyan, Phys. Rev. Lett. 102, 096404 (2009). Range-separated density-functional theory approaches combining short-range density functional approximations with long-range random phase approximations (RPA) are then obtained as well-identified approximations on the long-range Green-function self-energy. Range-separated RPA-type schemes with or without long-range Hartree-Fock exchange response kernel are assessed on rare-gas and alkaline-earth dimers, and compared to range-separated second-order perturbation theory and range-separated coupled-cluster theory.Comment: 15 pages, 3 figures, 2 table

Magnetic Field Effect on the Pseudogap Temperature within Precursor Superconductivity

We determine the magnetic field dependence of the pseudogap closing temperature T* within a precursor superconductivity scenario. Detailed calculations with an anisotropic attractive Hubbard model account for a recently determined experimental relation in BSCCO between the pseudogap closing field and the pseudogap temperature at zero field, as well as for the weak initial dependence of T* at low fields. Our results indicate that the available experimental data are fully compatible with a superconducting origin of the pseudogap in cuprate superconductors.Comment: 4 pages, 3 figure

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

Approximations for many-body Green's functions: insights from the fundamental equations

Several widely used methods for the calculation of band structures and photo emission spectra, such as the GW approximation, rely on Many-Body Perturbation Theory. They can be obtained by iterating a set of functional differential equations relating the one-particle Green's function to its functional derivative with respect to an external perturbing potential. In the present work we apply a linear response expansion in order to obtain insights in various approximations for Green's functions calculations. The expansion leads to an effective screening, while keeping the effects of the interaction to all orders. In order to study various aspects of the resulting equations we discretize them, and retain only one point in space, spin, and time for all variables. Within this one-point model we obtain an explicit solution for the Green's function, which allows us to explore the structure of the general family of solutions, and to determine the specific solution that corresponds to the physical one. Moreover we analyze the performances of established approaches like $GW$ over the whole range of interaction strength, and we explore alternative approximations. Finally we link certain approximations for the exact solution to the corresponding manipulations for the differential equation which produce them. This link is crucial in view of a generalization of our findings to the real (multidimensional functional) case where only the differential equation is known.Comment: 17 pages, 7 figure

Effects of density imbalance on the BCS-BEC crossover in semiconductor electron-hole bilayers

We study the occurrence of excitonic superfluidity in electron-hole bilayers at zero temperature. We not only identify the crossover in the phase diagram from the BCS limit of overlapping pairs to the BEC limit of non-overlapping tightly-bound pairs but also, by varying the electron and hole densities independently, we can analyze a number of phases that occur mainly in the crossover region. With different electron and hole effective masses, the phase diagram is asymmetric with respect to excess electron or hole densities. We propose as the criterion for the onset of superfluidity, the jump of the electron and hole chemical potentials when their densities cross.Comment: 4 pages, 3 figure

Evolution of the Normal State of a Strongly Interacting Fermi Gas from a Pseudogap Phase to a Molecular Bose Gas

Wave-vector resolved radio frequency (rf) spectroscopy data for an ultracold trapped Fermi gas are reported for several couplings at Tc, and extensively analyzed in terms of a pairing-fluctuation theory. We map the evolution of a strongly interacting Fermi gas from the pseudogap phase into a fully gapped molecular Bose gas as a function of the interaction strength, which is marked by a rapid disappearance of a remnant Fermi surface in the single-particle dispersion. We also show that our theory of a pseudogap phase is consistent with a recent experimental observation as well as with Quantum Monte Carlo data of thermodynamic quantities of a unitary Fermi gas above Tc.Comment: 9 pages, 9 figures. Substantially revised version (to appear in Phys. Rev. Lett.

The Josephson effect throughout the BCS-BEC crossover

We study the stationary Josephson effect for neutral fermions across the BCS-BEC crossover, by solving numerically the Bogoliubov-de Gennes equations at zero temperature. The Josephson current is found to be considerably enhanced for all barriers at about unitarity. For vanishing barrier, the Josephson critical current approaches the Landau limiting value which, depending on the coupling, is determined by either pair-breaking or sound-mode excitations. In the coupling range from the BCS limit to unitarity, a procedure is proposed to extract the pairing gap from the Landau limiting current.Comment: 4 pages, 3 figures; improved version to appear in Phys. Rev. Let

Optical excitations in organic molecules, clusters and defects studied by first-principles Green's function methods

Spectroscopic and optical properties of nanosystems and point defects are discussed within the framework of Green's function methods. We use an approach based on evaluating the self-energy in the so-called GW approximation and solving the Bethe-Salpeter equation in the space of single-particle transitions. Plasmon-pole models or numerical energy integration, which have been used in most of the previous GW calculations, are not used. Fourier transforms of the dielectric function are also avoided. This approach is applied to benzene, naphthalene, passivated silicon clusters (containing more than one hundred atoms), and the F center in LiCl. In the latter, excitonic effects and the $1s \to 2p$ defect line are identified in the energy-resolved dielectric function. We also compare optical spectra obtained by solving the Bethe-Salpeter equation and by using time-dependent density functional theory in the local, adiabatic approximation. From this comparison, we conclude that both methods give similar predictions for optical excitations in benzene and naphthalene, but they differ in the spectra of small silicon clusters. As cluster size increases, both methods predict very low cross section for photoabsorption in the optical and near ultra-violet ranges. For the larger clusters, the computed cross section shows a slow increase as function of photon frequency. Ionization potentials and electron affinities of molecules and clusters are also calculated.Comment: 9 figures, 5 tables, to appear in Phys. Rev. B, 200