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O. Gunnarsson

Publications and source records attributed to O. Gunnarsson.

At least 37 records · Page 2Linked to original sources

Static vs. dynamical mean field theory of Mott antiferromagnets

Studying the antiferromagnetic phase of the Hubbard model by dynamical mean field theory, we observe striking differences with static (Hartree-Fock) mean field: The Slater band is strongly renormalized and spectral weight is transferred to spin-polaron side bands. Already for intermediate values of the interaction $U$ the overall bandwidth is larger than in Hartree-Fock, and the gap is considerably smaller. Such differences survive any renormalization of $U$. Our photoemission experiments for Cr-doped V$_2$O$_3$ show spectra qualitatively well described by dynamical mean field theory.

cond-mat.str-el↗

Electron-phonon interaction and antiferromagnetic correlations

We study effects of the Coulomb repulsion on the electron-phonon interaction (EPI) in a model of cuprates at zero and finite doping. We find that antiferromagnetic correlations strongly enhance EPI effects on the electron Green's function with respect to the paramagnetic correlated system, but the net effect of the Coulomb interaction is a moderate suppression of the EPI. Doping leads to additional suppression, due to reduced antiferromagnetic correlations. In contrast, the Coulomb interaction strongly suppresses EPI effects on phonons, but the suppression weakens with doping.

cond-mat.str-el↗

Electron-phonon coupling in the self-consistent Born approximation of the t-J model

We study an undoped t-J model with electron-phonon interaction using the self-consistent Born approximation (SCBA). By neglecting vertex corrections, the SCBA solves a boson-holon model, where a holon couples to phonons and magnons. Comparison with exact diagonalization results for the t-J model suggests that the SCBA describes the electron-phonon interaction fairly accurately over a substantial range of J/t values. Exact diagonalization of the boson-holon model shows that the deviations are mainly due to the neglect of vertex corrections for small J/t and due to the replacement of the t-J model by the boson-holon model for large J/t. For typical values of J/t, the electron-phonon part Sigma_ep of the electron self-energy has comparable contributions from the second order diagram in the electron-phonon interaction and a phonon induced change of magnon diagrams. A very simple approximation to Sigma_ep gives a rather accurate effective mass. Using this approximation, we study the factors influencing the electron-phonon interaction. Typically, we find that the magnons nominally have a stronger coupling to the holon than the phonons. The phonons, nevertheless, drive the formation of small polarons (self-localization) due to important differences between the character of the phonon and magnon couplings.

cond-mat.str-el↗

Polaronic behavior of undoped high-Tc cuprates

We present angle-resolved photoemission spectroscopy (ARPES) data on undoped La2CuO4, indicating polaronic coupling between bosons and charge carriers. Using a shell model, we calculate the electron-phonon coupling and find that it is strong enough to give polarons. We develop an efficient method for calculating ARPES spectra in undoped systems. Using the calculated couplings, we find the width of the phonon side band in good agreement with experiment. We analyze reasons for the observed dependence of the width on the binding energy.

cond-mat.str-el↗

Dispersion of incoherent spectral features in systems with strong electron-phonon coupling

We study (inverse) photoemission from systems with strong coupling of doped carriers to phonons. Using an adiabatic approximation, we develop a method for calculating spectra. This method is particularly simple for systems where the electron-phonon coupling can be neglected in the initial state, e.g., the undoped t-J model. The theory then naturally explains why the electron-phonon coupling just leads to a broadening of spectra calculated without electron-phonon coupling, without changing the dispersion. This is in agreement with recent angle-resolved photoemission spectroscopy (ARPES) on undoped cuprates, and it supports the interpretation in terms of strong electron-phonon interaction. The theory also shows that for systems with strong electron-phonon coupling in the initial state, the result cannot in general be related to the spectrum obtained without electron-phonon coupling.

cond-mat.str-el↗

Electron-phonon interaction in the three-band model

We study the half-breathing phonon in the three-band model of a high temperature superconductor, allowing for vibrations of atoms and resulting changes of hopping parameters. Two different approaches are compared. From the three-band model a t-J model with phonons can be derived, and phonon properties can be calculated. To make contact to density functional calculations, we also study the three-band model in the Hartree-Fock (HF) approximation. The paramagnetic HF solution, appropriate for the doped cuprates, has similarities to the local-density approximation (LDA). However, in contrast to the LDA, the existence of an antiferromagnetic insulating solution for the undoped system makes it possible to study the softening of the half-breathing phonon under doping. We find that although the HF approximation and the t-J model give similar softenings, these softenings happen in quite different ways. We also find that the HF approximation gives an incorrect doping and q dependence for the softening and too small a width for the (half-)breathing phonon.

cond-mat.str-el↗

Apparent electron-phonon interaction in strongly correlated systems

We study the interaction of electrons with phonons in strongly correlated solids, having high-T_c cuprates in mind. Using sum-rules, we show that the apparent strength of this interaction strongly depends on the property studied. If the solid has a small fraction (doping) delta of charge carriers, the influence of the interaction on the phonon self-energy is reduced by a factor delta, while there is no corresponding reduction of the coupling seen in the electron self-energy. This supports the interpretation of recent photoemission experiments, assuming a strong coupling to phonons.

cond-mat.str-el↗

Electron-phonon interaction in the t-J model

We derive a t-J model with electron-phonon coupling from the three-band model, considering modulation of both hopping and Coulomb integrals by phonons. While the modulation of the hopping integrals dominates, the modulation of the Coulomb integrals cannot be neglected. The model explains the experimentally observed anomalous softening of the half-breathing mode upon doping and a weaker softening of the breathing mode. It is shown that other phonons are not strongly influenced, and, in particular, the coupling to a buckling mode is not strong in this model.

cond-mat.str-el↗

Role of surface states in STM spectroscopy of (111) metal surfaces with Kondo adsorbates

A nearly-free-electron (NFE) model to describe STM spectroscopy of (111) metal surfaces with Kondo impurities is presented. Surface states are found to play an important role giving a larger contribution to the conductance in the case of Cu(111) and Au(111) than Ag(111) surfaces. This difference arises from the farther extension of the Ag(111) surface state into the substrate. The different line shapes observed when Co is adsorbed on different substrates can be explained from the position of the surface band onset relative to the Fermi energy. The lateral dependence of the line shape amplitude is found to be bulk-like for R|| < 4 Amstrongs and surface-like at larger distances, in agreement with experimental data.

cond-mat.str-el↗

Simple model for scanning tunneling spectroscopy of noble metal surfaces with adsorbed Kondo impurities

A simple model is introduced to describe conductance measurements between a scanning tunneling microscope (STM) tip and a noble metal surface with adsorbed transition metal atoms which display the Kondo effect. The model assumes a realistic parameterization of the potential created by the surface and a d3z2-r2 orbital for the description of the adsorbate. Fano lineshapes associated with the Kondo resonance are found to be sensitive to details of the adsorbate-substrate interaction. For instance, bringing the adsorbate closer to the surface leads to more asymmetric lineshapes while their dependence on the tip distance is weak. We find that it is important to use a realistic surface potential, to properly include the tunnelling matrix elements to the tip and to use substrate states which are orthogonal to the adsorbate and tip states. An application of our model to Co adsorbed on Cu explains the difference in the lineshapes observed between Cu(100) and Cu(111) surfaces.

cond-mat.str-el↗

Saturation of electrical resistivity

Resistivity saturation is observed in many metallic systems with a large resistivity, i.e., when the resistivity has reached a critical value, its further increase with temperature is substantially reduced. This typically happens when the apparent mean free path is comparable to the interatomic separations - the Ioffe-Regel condition. Recently, several exceptions to this rule have been found. Here, we review experimental results and early theories of resistivity saturation. We then describe more recent theoretical work, addressing cases both where the Ioffe-Regel condition is satisfied and where it is violated. In particular we show how the (semiclassical) Ioffe-Regel condition can be derived quantum-mechanically under certain assumptions about the system and why these assumptions are violated for high-Tc cuprates and alkali-doped fullerides.

cond-mat.str-el↗

Violation of Ioffe-Regel condition but saturation of resistivity of the high Tc cuprates

We demonstrate that the resistivity data of a number of high Tc cuprates, in particular La(2-x)SrxCuO4, are consistent with resistivity saturation, although the Ioffe-Regel condition is strongly violated. By using the f-sum rule together with calculations of the kinetic energy in the t-J model, we show that the saturation resistivity is unusually large. This is related to the strong reduction of the kinetic energy due to strong correlation effects. The fulfilment of the Ioffe-Regel condition for conventional transition metal compounds is found to be somewhat accidental.

cond-mat.str-el↗

Electrical resistivity at large temperatures: Saturation and lack thereof

Many transition metal compounds show saturation of the resistivity at high temperatures, T, while the alkali-doped fullerenes and the high-Tc cuprates are usually considered to show no saturation. We present a model of transition metal compounds, showing saturation, and a model of alkali-doped fullerenes, showing no saturation. To analyze the results we use the f-sum rule, which leads to an approximate upper limit for the resistivity at large T. For some systems and at low T, the resistivity increases so rapidly that this upper limit is approached for experimental T. The resistivity then saturates. For a model of transition metal compounds with weakly interacting electrons, the upper limit corresponds to a mean free path consistent with the Ioffe-Regel condition. For a model of the high Tc cuprates with strongly interacting electrons, however, the upper limit is much larger than the Ioffe-Regel condition suggests. Since this limit is not exceeded by experimental data, the data are consistent with saturation also for the cuprates. After "saturation" the resistivity usually grows slowly. For the alkali-doped fullerenes, "saturation" can be considered to have happened already for T=0, due to orientational disorder. For these systems, however, the resistivity grows so rapidly after "saturation" that this concept is meaningless. This is due to the small band width and to the coupling to the level energies of the important phonons.

cond-mat.str-el↗

Superconductivity in molecular solids with Jahn-Teller phonons

We analyze fulleride superconductivity at experimental doping levels, treating the electron-electron and electron-phonon interactions on an equal footing, and establish the existence of novel physics which helps explain the unusually high superconducting transition temperatures in these systems. The Jahn-Teller phonons create a local (intramolecular) pairing that is surprisingly resistant to the Coulomb repulsion, despite the weakness of retardation in these low-bandwidth systems. The requirement for coherence throughout the solid to establish superconductivity then yields a very strong doping dependence to Tc, one consistent with experiment and much stronger than expected from standard Eliashberg theory.

cond-mat.str-el↗

Saturation of electrical resistivity in metals at large temperatures

We present a microscopic model for systems showing resistivity saturation. An essentially exact quantum Monte-Carlo calculation demonstrates that the model describes saturation. We give a simple explanation for saturation, using charge conservation and considering the limit where thermally excited phonons have destroyed the periodicity. Crucial model features are phonons coupling to the hopping matrix elements and a unit cell with several atoms. We demonstrate the difference to a model of alkali-doped C60 with coupling to the level positions, for which there is no saturation.

cond-mat.mtrl-sci↗

Comment on ``Bethe Ansatz Results for the 4f-Electron Spectra of a Degenerate Anderson Model ''

In a recent letter, Zvyagin calculates the density of states for 4f electrons coupled to a conduction band in the framework of the Bethe ansatz (BA) solution for the degenerate Anderson model. It is claimed that the results qualitatively disagree with the results obtained for the same model but using a variational approach. Even the high energy feature in the f-spectral function near the 4f-level energy ef, i.e. the ``normal'' ionization peak (NIP), is argued to be qualitatively different in the two approaches. In the following we point out that this is not the case.

cond-mat.str-el↗

The mean free path for electron conduction in metallic fullerenes

We calculate the electrical resistivity due to electron-phonon scattering for a model of A3C60 (A= K, Rb), using an essentially exact quantum Monte-Carlo calculation. In agreement with experiment, we obtain exceptionally large metallic resistivities at large temperatures T. This illustrates that the apparent mean free path can be much shorter than the separation of the molecules. An interpretation of this result is given. The calculation also explains the linear behavior in T at small T.

cond-mat.str-el↗

Metal-insulator transitions in systems with electron-phonon and Coulomb interactions

We consider a model which includes the electron-phonon coupling to Ag or Jahn-Teller Hg phonons, the Coulomb interaction U and an exchange integral K. We study the metal-insulator transition for the integer fillings n=3 and 4. We find that the coupling to Ag phonons increases the critical value Uc where the transition takes place, while the coupling to Hg phonons decreases Uc. Without electron-phonon coupling the Hund's rule coupling also decreases Uc. There is, however, an interesting competition between the Hund's rule coupling and the Jahn-Teller effect. Thus the reduction of Uc due to the Hg phonons becomes smaller when the Hund's rule coupling is turned on. The implications of this is discussed in the context of AnC60.

cond-mat.str-el↗