Dynamical Mean-Field Theory of Electron-Phonon Interactions in Correlated Systems: Application to Isotope Effects on Electronic Properties

We use a recently developed formalism (combining an adiabatic expansion and dynamical mean-field theory) to obtain expressions for isotope effects on electronic properties in correlated systems. As an example we calculate the isotope effect on electron effective mass for the Holstein model as a function of electron-phonon interaction strength and doping. Our systematic expansion generates diagrams neglected in previous studies, which turn out to give the dominant contributions. The isotope effect is small unless the system is near a lattice instability. We compare this to experiment.Comment: 6 pages, 4 figures; added discussion of isotope effect away from half fillin

Condensation energy in strongly coupled superconductors

We consider the condensation energy in superconductors where the pairing is electronic in origin and is mediated by a collective bosonic mode. We use magnetically-mediated superconductivity as an example, and show that for large spin-fermion couplings, the physics is qualitatively different from the BCS theory as the condensation energy results from the feedback on spin excitations, while the electronic contribution to the condensation energy is positive due to an ``undressing'' feedback on the fermions. The same feedback effect accounts for the gain of the kinetic energy at strong couplings.Comment: 4 pages, revtex 4, 3 eps figure

Non-linear feedback effects in coupled Boson-Fermion systems

We address ourselves to a class of systems composed of two coupled subsystems without any intra-subsystem interaction: itinerant Fermions and localized Bosons on a lattice. Switching on an interaction between the two subsystems leads to feedback effects which result in a rich dynamical structure in both of them. Such feedback features are studied on the basis of the flow equation technique - an infinite series of infinitesimal unitary transformations - which leads to a gradual elimination of the inter-subsystem interaction. As a result the two subsystems get decoupled but their renormalized kinetic energies become mutually dependent on each other. Choosing for the inter - subsystem interaction a charge exchange term (the Boson-Fermion model) the initially localized Bosons acquire itinerancy through their dependence on the renormalized Fermion dispersion. This latter evolves from a free particle dispersion into one showing a pseudogap structure near the chemical potential. Upon lowering the temperature both subsystems simultaneously enter a macroscopic coherent quantum state. The Bosons become superfluid, exhibiting a soundwave like dispersion while the Fermions develop a true gap in their dispersion. The essential physical features described by this technique are already contained in the renormalization of the kinetic terms in the respective Hamiltonians of the two subsystems. The extra interaction terms resulting in the process of iteration only strengthen this physics. We compare the results with previous calculations based on selfconsistent perturbative approaches.Comment: 14 pages, 16 figures, accepted for publication in Phys. Rev.

Jahn-Teller polarons and their superconductivity in a molecular conductor

We present a theoretical study of a possibility of superconductivity in a three dimensional molecular conductor in which the interaction between electrons in doubly degenerate molecular orbitals and an {\em intra}molecular vibration mode is large enough to lead to the formation of $E\otimes \beta$ Jahn-Teller small polarons. We argue that the effective polaron-polaron interaction can be attractive for material parameters realizable in molecular conductors. This interaction is the source of superconductivity in our model. On analyzing superconducting instability in the weak and strong coupling regimes of this attractive interaction, we find that superconducting transition temperatures up to 100 K are achievable in molecular conductors within this mechanism. We also find, for two particles per molecular site, a novel Mott insulating state in which a polaron singlet occupies one of the doubly degenerate orbitals on each site. Relevance of this study in the search for new molecular superconductors is pointed out.Comment: Submitted to Phys. Rev.

Anomalous specific heat jump in the heavy fermion superconductor CeCoIn5_5

We study the anomalously large specific heat jump and its systematic change with pressure in CeCoIn$_5$ superconductor. Starting with the general free energy functional of the superconductor for a coupled electron boson system, we derived the analytic result of the specific heat jump of the strong coupling superconductivity occurring in the coupled electron boson system. Then using the two component spin-fermion model we calculate the specific heat coefficient $C(T)/T$ both for the normal and superconducting states and show a good agreement with the experiment of CeCoIn$_5$. Our result also clearly demonstrated that the specific heat coefficient $C(T)/T$ of a coupled electron boson system can be freely interpreted as a renormalization either of the electronic or of the bosonic degrees of freedom.Comment: 5 pages, 2 figure

Hybridization-induced superconductivity from the electron repulsion on a tetramer lattice having a disconnected Fermi surface

Plaquette lattices with each unit cell containing multiple atoms are good candidates for disconnected Fermi surfaces, which are shown by Kuroki and Arita to be favorable for spin-flucutation mediated superconductivity from electron repulsion. Here we find an interesting example in a tetramer lattice where the structure within each unit cell dominates the nodal structure of the gap function. We trace its reason to the way in which a Cooper pair is formed across the hybridized molecular orbitals, where we still end up with a T_c much higher than usual.Comment: 4 pages, 6 figure

Mixed symmetry superconductivity in two-dimensional Fermi liquids

We consider a 2D isotropic Fermi liquid with attraction in both $s$ and $d$ channels and examine the possibility of a superconducting state with mixed $s$ and $d$ symmetry of the gap function. We show that both in the weak coupling limit and at strong coupling, a mixed $s+id$ symmetry state is realized in a certain range of interaction. Phase transitions between the mixed and the pure symmetry states are second order. We also show that there is no stable mixed $s+d$ symmetry state at any coupling.Comment: 3 figures attached in uuencoded gzipped file

The Ising-Kondo lattice with transverse field: an f-moment Hamiltonian for URu2Si2?

We study the phase diagram of the Ising-Kondo lattice with transverse magnetic field as a possible model for the weak-moment heavy-fermion compound URu2Si2, in terms of two low-lying f singlets in which the uranium moment is coupled by on-site exchange to the conduction electron spins. In the mean-field approximation for an extended range of parameters, we show that the conduction electron magnetization responds logarithmically to f-moment formation, that the ordered moment in the antiferromagnetic state is anomalously small, and that the Neel temperature is of the order observed. The model gives a qualitatively correct temperature-dependence, but not magnitude, of the specific heat. The majority of the specific heat jump at the Neel temperature arises from the formation of a spin gap in the conduction electron spectrum. We also discuss the single-impurity version of the model and speculate on ways to increase the specific heat coefficient. In the limits of small bandwidth and of small Ising-Kondo coupling, we find that the model corresponds to anisotropic Heisenberg and Hubbard models respectively.Comment: 20 pages RevTeX including 5 figures (1 in LaTeX, 4 in uuencoded EPS), Received by Phys. Rev. B 19 April 199

Semiclassical action based on dynamical mean-field theory describing electrons interacting with local lattice fluctuations

We extend a recently introduced semiclassical approach to calculating the influence of local lattice fluctuations on electronic properties of metals and metallic molecular crystals. The effective action of electrons in degenerate orbital states coupling to Jahn-Teller distortions is derived, employing dynamical mean-field theory and adiabatic expansions. We improve on previous numerical treatments of the semiclassical action and present for the simplifying Holstein model results for the finite temperature optical conductivity at electron-phonon coupling strengths from weak to strong. Significant transfer of spectral weight from high to low frequencies is obtained on isotope substitution in the Fermi-liquid to polaron crossover regime.Comment: 10 pages, 7 figure

Structural and superconducting transition in selenium under high pressures

First-principles calculations are performed for electronic structures of two high pressure phases of solid selenium, $\beta$-Po and bcc. Our calculation reproduces well the pressure-induced phase transition from $\beta$-Po to bcc observed in selenium. The calculated transition pressure is 30 GPa lower than the observed one, but the calculated pressure dependence of the lattice parameters agrees fairly well with the observations in a wide range of pressure. We estimate the superconducting transition temperature $T_{\rm c}$ of both the $\beta$-Po and the bcc phases by calculating the phonon dispersion and the electron-phonon interaction on the basis of density-functional perturbation theory. The calculated $T_{\rm c}$ shows a characteristic pressure dependence, i.e. it is rather pressure independent in the $\beta$-Po phase, shows a discontinuous jump at the transition from $\beta$-Po to bcc, and then decreases rapidly with increasing pressure in the bcc phase.Comment: 8 pages, 11 figure