arXiv subjects

Antoine Georges

Publications and source records attributed to Antoine Georges.

At least 145 records · Page 8Linked to original sources

arXiv2011

Thermodynamics of the three-dimensional Hubbard model: Implications for cooling cold atomic gases in optical lattices

We present a comprehensive study of the thermodynamic properties of the three-dimensional fermionic Hubbard model, with application to cold fermionic atoms subject to an optical lattice and a trapping potential. Our study is focused on the temperature range of current experimental interest. We employ two theoretical methods - dynamical mean-field theory and high-temperature series - and perform comparative benchmarks to delimitate their respective range of validity. Special attention is devoted to understand the implications that thermodynamic properties of this system have on cooling. Considering the distribution function of local occupancies in the inhomogeneous lattice, we show that, under adiabatic evolution, the variation of any observable (e.g., temperature) can be conveniently disentangled into two distinct contributions. The first contribution is due to the redistribution of atoms in the trap during the evolution, while the second one comes from the intrinsic change of the observable. Finally, we provide a simplified picture of the cooling procedure recently proposed in J.-S. Bernier et al., Phys. Rev. A 79, 061601 (2009) by applying this method to an idealized model.

cond-mat.quant-gas↗

arXiv2011

Hallmark of strong electronic correlations in LaNiO$_3$: photoemission kink and broadening of fully occupied bands

Recent angular-resolved photoemission experiments on LaNiO$_3$ reported a renormalization of the Fermi velocity of $e_g$ quasiparticles, a kink in their dispersion at $ -0.2$ eV and a large broadening and weakened dispersion of the occupied $t_{2g}$ states. We show here that all these features result from electronic correlations and are quantitatively reproduced by calculations combining density-functional theory and dynamical mean-field theory. The importance and general relevance of correlation effects in filled bands coupled by inter-orbital interactions to a partially-filled band are pointed out.

cond-mat.str-el↗

arXiv2011

Fermi-Liquid Behavior of the Normal Phase of a Strongly Interacting Gas of Cold Atoms

We measure the magnetic susceptibility of a Fermi gas with tunable interactions in the low-temperature limit and compare it to quantum Monte Carlo calculations. Experiment and theory are in excellent agreement and fully compatible with the Landau theory of Fermi liquids. We show that these measure- ments shed new light on the nature of the excitations of the normal phase of a strongly interacting Fermi gas.

cond-mat.quant-gas↗

arXiv2011

Janus-faced influence of the Hund's rule coupling in strongly correlated materials

We show that in multi-band metals the correlations are strongly affected by the Hund's rule coupling, which depending on the filling promotes metallic, insulating or bad-metallic behavior. The quasiparticle coherence and the proximity to a Mott insulator are influenced distinctly and, away from single- and half-filling, in opposite ways. A strongly correlated bad-metal far from a Mott phase is found there. We propose a concise classification of 3d and 4d transition-metal oxides within which the ubiquitous occurrence of strong correlations in Ru- and Cr-based oxides, as well as the recently measured high Néel temperatures in Tc-based perovskites are naturally explained.

cond-mat.str-el↗

arXiv2011

The coherence-incoherence crossover and the mass-renormalization puzzles in Sr2RuO4

We calculate the electronic structure of Sr2RuO4, treating correlations in the framework of dynamical mean-field theory. The approach successfully reproduces several experimental results and explains the key properties of this material: the anisotropic mass renormalization of quasiparticles and the crossover into an incoherent regime at a low temperature. While the orbital differentiation originates from the proximity of the van Hove singularity, strong correlations are caused by the Hund's coupling. The generality of this mechanism for other correlated materials is pointed out.

cond-mat.str-el↗

arXiv2010

Momentum space anisotropy and pseudogaps: a comparative cluster dynamical mean field analysis of the doping-driven metal-insulator transition in the two dimensional Hubbard model

Cluster dynamical mean field calculations based on 2, 4, 8 and 16 site clusters are used to analyze the doping-driven metal-insulator transition in the two dimensional Hubbard model. Comparison of results obtained on different clusters enables a determination of those aspects of the physics that are common to all clusters and permits identification of artifacts associated with particular cluster geometries. A modest particle-hole asymmetry in the underlying band structure is shown to lead to qualitatively different behavior on the hole doped side than on the electron doped side. For particle-hole asymmetry of the sign and magnitude appropriate to high-$T_c$ cuprates, the approach to the insulator from the hole-doping side is found to proceed in two stages from a high-doping region where the properties are those of a Fermi liquid with moderately renormalized parameters and very weak momentum dependence. As doping is reduced the system first enters an intermediate doping regime where the Fermi liquid renormalizations are larger and the electron self energy varies significantly around the Fermi surface and then passes to a small doping regime characterized by a gap in some regions of the Fermi surface but gapless behavior in other regions. On the electron doped side the partially gapped regime does not occur, and the momentum dependence of the electron self energy is less pronounced. Implications for the high-$T_c$ cuprates and for the use of cluster dynamical mean field methods in wider classes of problems are discussed.

cond-mat.str-el↗

arXiv2010

Theoretical evidence for strong correlations and incoherent metallic state in FeSe

The role of electronic Coulomb correlations in iron-based superconductors is an important open question. We provide theoretical evidence for strong correlation effects in the FeSe compound, based on dynamical mean field calculations. A lower Hubbard band is found in the spectral properties. Moreover, together with significant orbital-dependent mass enhancements, we find that the normal state is a bad metal over an extended temperature range, implying a non-Fermi liquid. Predictions for angle-resolved photoemission spectroscopy are made.

cond-mat.str-el↗

arXiv2010

Considerable non-local electronic correlations in strongly doped Na$_x$CoO$_2$

The puzzling electronic correlation effects in the sodium cobaltate system are studied by means of the combination of density functional theory and the rotationally invariant slave boson (RISB) method in a cellular-cluster approach. Realistic non-local correlations are hence described in the short-range regime for finite Coulomb interactions on the underlying frustrated triangular lattice. A local Hubbard U is sufficient to model the gross in-plane magnetic behavior with doping x, namely antiferromagnetic correlations at intermediate doping and the onset of ferromagnetic order above x>3/4 with a mixed phase for 0.62<x<3/4. Important insight is thereby provided by the occupations of local cluster multiplets retrieved from the RISB framework. The extended modeling of the x$\ge$2/3 doping regime with an additional inter-site Coulomb repulsion V on an experimentally verified effective kagomé lattice allows to account for relevant charge-ordering physics. Therewith a fluctuating charge-density-wave state with small quasiparticle weight and a maximum in-plane magnetic susceptibility may be identified at x$\sim$3/4, just where the magnetic ordering sets in.

cond-mat.str-el↗

arXiv2010

Quantitative Determination of Temperature in the Approach to Magnetic Order of Ultracold Fermions in an Optical Lattice

We perform a quantitative simulation of the repulsive Fermi-Hubbard model using an ultracold gas trapped in an optical lattice. The entropy of the system is determined by comparing accurate measurements of the equilibrium double occupancy with theoretical calculations over a wide range of parameters. We demonstrate the applicability of both high-temperature series and dynamical mean-field theory to obtain quantitative agreement with the experimental data. The reliability of the entropy determination is confirmed by a comprehensive analysis of all systematic errors. In the center of the Mott insulating cloud we obtain an entropy per atom as low as 0.77kB which is about twice as large as the entropy at the Neel transition. The corresponding temperature depends on the atom number and for small fillings reaches values on the order of the tunneling energy.

cond-mat.quant-gas↗

arXiv2009

Thermometry and signatures of strong correlations from Raman spectroscopy of fermionic atoms in optical lattices

We propose a method to directly measure the temperature of a gas of weakly interacting fermionic atoms loaded into an optical lattice. This technique relies on Raman spectroscopy and is applicable to experimentally relevant temperature regimes. Additionally, we show that a similar spectroscopy scheme can be used to obtain information on the quasiparticle properties and Hubbard bands of the metallic and Mott-insulating states of interacting fermionic spin mixtures. These two methods provide experimentalists with novel probes to accurately characterize fermionic quantum gases confined to optical lattices.

cond-mat.quant-gas↗

arXiv2009

Non-equilibrium dynamics of interacting Fermi systems in quench experiments

We describe the dynamics of two component non-interacting ultracold Fermions which are initially in thermal equilibrium and undergo a rapid quench to either the repulsive or attractive side of a Feshbach resonance. The short time dynamics is dominated by the exponentially growing collective modes. We study the Stoner instability and formation of ferromagnetic textures on the repulsive side, and the pairing instability towards BCS or FFLO-like states (determined by the population imbalance) on the attractive side. In each case, we evaluate the growth rate of unstable modes and predict the typical lengthscale of textures to be formed.

cond-mat.quant-gas↗

arXiv2009

Dynamical Mean-Field Theory within an Augmented Plane-Wave Framework: Assessing Electronic Correlations in the Iron Pnictide LaFeAsO

We present an approach that combines the local density approximation (LDA) and the dynamical mean-field theory (DMFT) in the framework of the full-potential linear augmented plane waves (FLAPW) method. Wannier-like functions for the correlated shell are constructed by projecting local orbitals onto a set of Bloch eigenstates located within a certain energy window. The screened Coulomb interaction and Hund's coupling are calculated from a first-principle constrained RPA scheme. We apply this LDA+DMFT implementation, in conjunction with continuous-time quantum Monte-Carlo, to study the electronic correlations in LaFeAsO. Our findings support the physical picture of a metal with intermediate correlations. The average value of the mass renormalization of the Fe 3d bands is about 1.6, in reasonable agreement with the picture inferred from photoemission experiments. The discrepancies between different LDA+DMFT calculations (all technically correct) which have been reported in the literature are shown to have two causes: i) the specific value of the interaction parameters used in these calculations and ii) the degree of localization of the Wannier orbitals chosen to represent the Fe 3d states, to which many-body terms are applied. The latter is a fundamental issue in the application of many-body calculations, such as DMFT, in a realistic setting. We provide strong evidence that the DMFT approximation is more accurate and more straightforward to implement when well-localized orbitals are constructed from a large energy window encompassing Fe-3d, As-4p and O-2p, and point out several difficulties associated with the use of extended Wannier functions associated with the low-energy iron bands. Some of these issues have important physical consequences, regarding in particular the sensitivity to the Hund's coupling.

cond-mat.str-el↗

arXiv2009

Getting into Shape: Efficient Cooling Scheme for Fermionic Atoms in Optical Lattices

We propose an experimental procedure to cool fermionic atoms loaded into an optical lattice. The central idea is to spatially divide the system into entropy-rich and -poor regions by shaping the confining potential profile. Atoms in regions of high entropy per particle are subsequently isolated from the system. We discuss how to experimentally carry out this proposal, and perform a quantitative study of its efficiency. We find that the entropy per particle, $s$, can typically be reduced by a factor of 10 such that entropies lower than $s/k_B \sim 0.2$ can be reached. Cooling into highly sought-after quantum phases (such as an antiferromagnet) can thus be achieved. We show that this procedure is robust against variations of the experimental conditions.

cond-mat.str-el↗

arXiv2009

Probing quasi-particle states in strongly interacting atomic gases by momentum-resolved Raman photoemission spectroscopy

We investigate a momentum-resolved Raman spectroscopy technique which is able to probe the one-body spectral function and the quasi-particle states of a gas of strongly interacting ultracold atoms. This technique is inspired by Angle-Resolved Photo-Emission Spectroscopy, a powerful experimental probe of electronic states in solid-state systems. Quantitative examples of experimentally accessible spectra are given for the most significant regimes along the BEC-BCS crossover. When the theory is specialized to RF spectroscopy, agreement is found with recent experimental data. The main advantages of this Raman spectroscopy over existing techniques are pointed out.

cond-mat.quant-gas↗

arXiv2008

Polarized superfluidity in the attractive Hubbard model with population imbalance

We study a two-component Fermi system with attractive interactions and different populations of the two species in a cubic lattice. For an intermediate coupling we find a uniformly polarized superfluid which is stable down to very low temperatures. The momentum distribution of this phase closely resembles that of the Sarma phase, characterized by two Fermi surfaces. This phase is shown to be stabilized by a potential energy gain, as in a BCS superfluid, in contrast to the unpolarized BEC which is stabilized by kinetic energy. We present general arguments suggesting that preformed pairs in the unpolarized superfluid favor the stabilization of a polarized superfluid phase.

cond-mat.supr-con↗

arXiv2008

Multiplets Matter: The Electronic Structure of Rare-Earth Semiconductors and Semimetals

We demonstrate that a theoretical framework fully incorporating intra-atomic correlations and multiplet structure of the localized 4f states is required in order to capture the essential physics of rare-earth semiconductors and semimetals. We focus in particular on the rare-earth semimetal erbium arsenide (ErAs), for which effective one-electron approaches fail to provide a consistent picture of both high and low-energy electronic states. We treat the many-body states of the Er 4f shell within an atomic approximation in the framework of dynamical mean-field theory. Our results for the magnetic-field dependence of the 4f local moment, the influence of multiplets on the photoemission spectrum, and the exchange splitting of the Fermi surface pockets as measured from Shubnikov-de Haas oscillations, are found to be in good agreement with experimental results.

cond-mat.str-el↗

arXiv2008

Effect of Crystal-Field Splitting and Inter-Band Hybridization on the Metal-Insulator Transitions of Strongly Correlated Systems

We investigate a quarter-filled two-band Hubbard model involving a crystal-field splitting, which lifts the orbital degeneracy as well as an inter-orbital hopping (inter-band hybridization). Both terms are relevant to the realistic description of correlated materials such as transition-metal oxides. The nature of the Mott metal-insulator transition is clarified and is found to depend on the magnitude of the crystal-field splitting. At large values of the splitting, a transition from a two-band to a one-band metal is first found as the on-site repulsion is increased and is followed by a Mott transition for the remaining band, which follows the single-band (Brinkman-Rice) scenario well documented previously within dynamical mean-field theory. At small values of the crystal-field splitting, a direct transition from a two-band metal to a Mott insulator with partial orbital polarization is found, which takes place simultaneously for both orbitals. This transition is characterized by a vanishing of the quasiparticle weight for the majority orbital but has a first-order character for the minority orbital. It is pointed out that finite-temperature effects may easily turn the metallic regime into a bad metal close to the orbital polarization transition in the metallic phase.

cond-mat.str-el↗

arXiv2008

Bandwidth and Fermi surface of Iron-Oxypnictides: covalency and sensitivity to structural changes

Some important aspects of the electronic structure of the iron oxypnictides depend very sensitively on small changes in interatomic distances and bond angles within the iron-pnictogen subunit. Using first-principles full-potential electronic structure calculations, we investigate this sensitive dependence, contrasting in particular LaOFeAs and LaOFeP. The width of the Fe-bands is significantly larger for LaOFeP, indicating a better metal and weaker electronic correlations. When calculated at their experimental crystal structure these two materials have significantly different low-energy band structure. The topology of the Fermi surface changes when going from LaOFeP to LaOFeAs, with a three-dimensional hole pocket present in the former case transforming into a tube with two-dimensional dispersion. We show that the low-energy band structure of LaOFeAs evolves towards that of LaOFeP as the As atom is lowered closer to the Fe plane with respect to its experimental position. The physical origin of this sensitivity to the iron-pnictogen distance is the covalency of the iron-pnictogen bond, leading to strong hybridization effects. To illustrate this, we construct Wannier functions, which are found to have a large spatial extension when the energy window is restricted to the bands with dominant iron character. Finally, we show that the Fe bandwidth slightly increases as one moves along the rare-earth series in ReOFeAs and discuss the physical origin of this effect.

cond-mat.supr-con↗