BCS-BEC crossover at finite temperature in the broken-symmetry phase

The BCS-BEC crossover is studied in a systematic way in the broken-symmetry phase between zero temperature and the critical temperature. This study bridges two regimes where quantum and thermal fluctuations are, respectively, important. The theory is implemented on physical grounds, by adopting a fermionic self-energy in the broken-symmetry phase that represents fermions coupled to superconducting fluctuations in weak coupling and to bosons described by the Bogoliubov theory in strong coupling. This extension of the theory beyond mean field proves important at finite temperature, to connect with the results in the normal phase. The order parameter, the chemical potential, and the single-particle spectral function are calculated numerically for a wide range of coupling and temperature. This enables us to assess the quantitative importance of superconducting fluctuations in the broken-symmetry phase over the whole BCS-BEC crossover. Our results are relevant to the possible realizations of this crossover with high-temperature cuprate superconductors and with ultracold fermionic atoms in a trap.Comment: 21 pages, 15 figure

Conserving and gapless approximations for the composite bosons in terms of the constituent fermions

A long-standing problem with the many-body approximations for interacting condensed bosons has been the dichotomy between the ``conserving'' and ``gapless'' approximations, which either obey the conservations laws or satisfy the Hugenholtz-Pines condition for a gapless excitation spectrum, in the order. It is here shown that such a dichotomy does not exist for a system of composite bosons, which form as bound-fermion pairs in the strong-coupling limit of the fermionic attraction. By starting from the constituent fermions, for which conserving approximations can be constructed for any value of the mutual attraction according to the Baym-Kadanoff prescriptions, it is shown that these approximations also result in a gapless excitation spectrum for the boson-like propagators in the broken-symmetry phase. This holds provided the corresponding equations for the fermionic single- and two-particle Green's functions are solved self-consistently.Comment: 4 pages, 1 figur

Competition between final-state and pairing-gap effects in the radio-frequency spectra of ultracold Fermi atoms

The radio-frequency spectra of ultracold Fermi atoms are calculated by including final-state interactions affecting the excited level of the transition, and compared with the experimental data. A competition is revealed between pairing-gap effects which tend to push the oscillator strength toward high frequencies away from threshold, and final-state effects which tend instead to pull the oscillator strength toward threshold. As a result of this competition, the position of the peak of the spectra cannot be simply related to the value of the pairing gap, whose extraction thus requires support from theoretical calculations.Comment: 4 pages, 3 figures, final version published in Phys. Rev. Let

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

Beyond-mean-field description of a trapped unitary Fermi gas with mass and population imbalance

A detailed description is given of the phase diagram for a two-component unitary Fermi gas with mass and population imbalance, for both homogeneous and trapped systems. This aims at providing quantitative benchmarks for the normal-to-superfluid phase transition of a mass-imbalanced Fermi gas in the temperature-polarization parameter space. A self-consistent t-matrix approach is adopted, which has already proven to accurately describe the thermodynamic properties of the mass and population balanced unitary Fermi gas. Our results provide a guideline for the ongoing experiments on heteronuclear Fermi mixtures.Comment: 10 pages, 10 figures, final versio

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

Quantitative comparison between theoretical predictions and experimental results for the BCS-BEC crossover

Theoretical predictions for the BCS-BEC crossover of trapped Fermi atoms are compared with recent experimental results for the density profiles of $^6$Li. The calculations rest on a single theoretical approach that includes pairing fluctuations beyond mean field. Excellent agreement with experimental results is obtained. Theoretical predictions for the zero-temperature chemical potential and gap at the unitarity limit are also found to compare extremely well with Quantum Monte Carlo simulations and with recent experimental results.Comment: 4 pages, 3 eps figure

Elimination of unoccupied state summations in it ab initio self-energy calculations for large supercells

We present a new method for the computation of self-energy corrections in large supercells. It eliminates the explicit summation over unoccupied states, and uses an iterative scheme based on an expansion of the Green's function around a set of reference energies. This improves the scaling of the computational time from the fourth to the third power of the number of atoms for both the inverse dielectric matrix and the self-energy, yielding improved efficiency for 8 or more silicon atoms per unit cell

Popov approximation for composite bosons in the BCS-BEC crossover

Theoretical treatments of the BCS-BEC crossover need to provide as accurate as possible descriptions of the two regimes where the diluteness condition applies, either in terms of the constituent fermions (BCS limit) or of the composite bosons which form as bound-fermion pairs (BEC limit). This has to occur via a single fermionic theory that bridges across these two limiting representations. In this paper, we set up successive improvements of the fermionic theory, that result into composite bosons described at the level of either the Bogoliubov or the Popov approximations for point-like bosons. This work bears on the recent experimental advances on the BCS-BEC crossover with trapped Fermi atoms, which show the need for accurate theoretical descriptions of BEC side of the crossover.Comment: 13 pages, 4 figure

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