Infrared spectroscopic study of phonons coupled to charge excitations in FeSi

From an investigation of the optical conductivity of FeSi single crystals using FTIR spectroscopy in the frequency range from 30 to 20000 wavenumbers we conclude that the transverse effective charge of the Fe and Si ions is approximately 4e. Of the five optical phonons which are allowed by symmetry we observe only four, three of which have a Fano line shape presumably resulting from an interaction of these modes with the electronic continuum. We show that the large oscillator strength of the phonons results from a relatively weak coupling (lambda of the order of 0.1) of the lattice degrees of freedom to an electronic resonance above the semiconductor gap, which is also responsible for the large electronic polarizability of the medium.Comment: Revtex, 10 pages, 2 postscript pictures, to be published in Phys. Rev. B Rapid Comm

Low temperature ellipsometry of NaV2O5

The dielectric function of alpha'NaV2O5 was measured with electric field along the a and b axes in the photon energy range 0.8-4.5 eV for temperatures down to 4K. We observe a pronounced decrease of the intensity of the 1 eV peak upon increasing temperature with an activation energy of about 25meV, indicating that a finite fraction of the rungs becomes occupied with two electrons while others are emptied as temperature increases. No appreciable shifts of peaks were found s in the valence state of individual V atoms at the phase transition is very small. A remarkable inflection of this temperature dependence at the phase transition at 34 K indicates that charge ordering is associated with the low temperature phase.Comment: Revisions in style and order of presentation. One new figure. In press in Physical Review B. REVTeX, 4 pages with 4 postscript figure

Infrared optical properties of the spin-1/2 quantum magnet TiOClTiOCl

We report results on the electrodynamic response of $TiOCl$, a low-dimensional spin-1/2 quantum magnet that shows a spin gap formation for T$<T_{c1}$= 67 $K$. The Fano-like shape of a few selected infrared active phonons suggests an interaction between lattice vibrations and a continuum of low frequency (spin) excitations. The temperature dependence of the phonon mode parameters extends over a broad temperature range well above $T_{c1}$, indicating the presence of an extended fluctuation regime. In the temperature interval between 200 $K$ and $T_{c1}$ there is a progressive dimensionality crossover (from two to one), as well as a spectral weight shift from low towards high frequencies. This allows us to identify a characteristic energy scale of about 430 $K$, ascribed to a pseudo spin-gap

Inversion symmetry in the spin-Peierls compound NaV2O5

At room-temperature NaV2O5 was found to have the centrosymmetric space group Pmmn. This space group implies the presence of only one kind of V site in contrast with previous reports of the non-centrosymmetric counterpart P21mn. This indicates a non-integer valence state of vanadium. Furthermore, this symmetry has consequences for the interpretation of the transition at 34 K, which was ascribed to a spin-Peierls transition of one dimensional chains of V4+.Comment: Revtex, 3 pages, 2 postscript pictures embedded in the text. Corrected a mistake in one pictur

Strong spin-orbit coupling effects on the Fermi surface of Sr2RuO4 and Sr2RhO4

We present a first-principle study of spin-orbit coupling effects on the Fermi surface of Sr2RuO4 and Sr2RhO4. For nearly degenerate bands, spin-orbit coupling leads to a dramatic change of the Fermi surface with respect to non-relativistic calculations; as evidenced by the comparison with experiments on Sr2RhO4, it cannot be disregarded. For Sr2RuO4, the Fermi surface modifications are more subtle but equally dramatic in the detail: spin-orbit coupling induces a strong momentum dependence, normal to the RuO2 planes, for both orbital and spin character of the low-energy electronic states. These findings have profound implications for the understanding of unconventional superconductivity in Sr2RuO4.Comment: A high-resolution version can be found at http://www.physics.ubc.ca/~quantmat/ARPES/PUBLICATIONS/Articles/SO_Sr2RuO4.pd

Elusive electron-phonon coupling in quantitative analyses of the spectral function

We examine multiple techniques for extracting information from angle-resolved photoemission spectroscopy (ARPES) data, and test them against simulated spectral functions for electron-phonon coupling. We find that, in the low-coupling regime, it is possible to extract self-energy and bare-band parameters through a self-consistent Kramers-Kronig bare-band fitting routine. We also show that the effective coupling parameters deduced from the renormalization of quasiparticle mass, velocity, and spectral weight are momentum dependent and, in general, distinct from the true microscopic coupling; the latter is thus not readily accessible in the quasiparticle dispersion revealed by ARPES.Comment: A high-resolution version can be found at http://www.physics.ubc.ca/~quantmat/ARPES/PUBLICATIONS/Articles/KKBF.pd

Fermi pockets and correlation effects in underdoped YBa2Cu3O6.5

The detection of quantum oscillations in the electrical resistivity of YBa2Cu3O6.5 provides direct evidence for the existence of Fermi surface pockets in an underdoped cuprate. We present a theoretical study of the electronic structure of YBa2Cu3O7-d (YBCO) aiming at establishing the nature of these Fermi pockets, i.e. CuO2 plane versus CuO chain or BaO. We argue that electron correlation effects, such as orbital-dependent band distortions and highly anisotropic self-energy corrections, must be taken into account in order to properly interpret the quantum oscillation experiments.Comment: A high-resolution version can be found at http://www.physics.ubc.ca/~quantmat/ARPES/PUBLICATIONS/Articles/YBCO_OrthoII_LDA.pd

BCS-BEC crossover at finite temperature for superfluid trapped Fermi atoms

We consider the BCS-BEC crossover for a system of trapped Fermi atoms at finite temperature, both below and above the superfluid critical temperature, by including fluctuations beyond mean field. We determine the superfluid critical temperature and the pair-breaking temperature as functions of the attractive interaction between Fermi atoms, from the weak- to the strong-coupling limit (where bosonic molecules form as bound-fermion pairs). Density profiles in the trap are also obtained for all temperatures and couplings.Comment: revised version, to be published in Phys. Rev. Let