Structural distortions and model Hamiltonian parameters: from LSDA to a tight-binding description of LaMnO_3

The physics of manganites is often described within an effective two-band tight-binding (TB) model for the Mn e_g electrons, which apart from the kinetic energy includes also a local "Hund's rule" coupling to the t_{2g} core spin and a local coupling to the Jahn-Teller (JT) distortion of the oxygen octahedra. We test the validity of this model by comparing the energy dispersion calculated for the TB model with the full Kohn-Sham band-structure calculated within the local spin-density approximation (LSDA) to density functional theory. We analyze the effect of magnetic order, JT distortions, and "GdFeO_3-type" tilt-rotations of the oxygen octahedra. We show that the hopping amplitudes are independent of magnetic order and JT distortions, and that both effects can be described with a consistent set of model parameters if hopping between both nearest and next-nearest neighbors is taken into account. We determine a full set of model parameters from the density functional theory calculations, and we show that both JT distortions and Hund's rule coupling are required to obtain an insulating ground state within LSDA. Furthermore, our calculations show that the "GdFeO_3-type" rotations of the oxygen octahedra lead to a substantial reduction of the hopping amplitudes but to no significant deviation from the simple TB model.Comment: replaced with final (published) version with improved presentatio

Pseudogap Formation in Models for Manganites

The density-of-states (DOS) and one-particle spectral function $\rm A({\bf k}, \omega)$ of the one- and two-orbital models for manganites, the latter with Jahn-Teller phonons, are evaluated using Monte Carlo techniques. Unexpectedly robust pseudogap (PG) features were found at low- and intermediate-temperatures, particularly at or near regimes where phase-separation occurs as $\rm T$$\to$0. The PG follows the chemical potential and it is caused by the formation of ferromagnetic metallic clusters in an insulating background. It is argued that PG formation should be generic of mixed-phase regimes. The results are in good agreement with recent photoemission experiments for $\rm La_{1.2} Sr_{1.8} Mn_2 O_7$.Comment: Accepted for publication in Phys. Rev. Lett., 4 pages, Revtex, with 4 figures embedde

Temperature-Dependent Pseudogaps in Colossal Magnetoresistive Oxides

Direct electronic structure measurements of a variety of the colossal magnetoresistive oxides show the presence of a pseudogap at the Fermi energy E_F which drastically suppresses the electron spectral function at E_F. The pseudogap is a strong function of the layer number of the samples (sample dimensionality) and is strongly temperature dependent, with the changes beginning at the ferromagnetic transition temperature T_c. These trends are consistent with the major transport trends of the CMR oxides, implying a direct relationship between the pseudogap and transport, including the "colossal" conductivity changes which occur across T_c. The k-dependence of the temperature-dependent effects indicate that the pseudogap observed in these compounds is not due to the extrinsic effects proposed by Joynt.Comment: 5 pages, 6 figures, submitted to Phys. Rev.

Electronic excitations in Bi2_2Sr2_2CaCu2_2O8_8 : Fermi surface, dispersion, and absence of bilayer splitting

From a detailed study, including polarization dependence, of the normal state angle-resolved photoemission spectra for Bi$_2$Sr$_2$CaCu$_2$O$_8$, we find only one CuO$_2$ band related feature. All other spectral features can be ascribed either to umklapps from the superlattice or to ``shadow bands''. Even though the dispersion of the peaks looks like band theory, the lineshape is anomalously broad and no evidence is found for bilayer splitting. We argue that the ``dip feature'' in the spectrum below $T_c$ arises not from bilayer splitting, but rather from many body effects.Comment: 4 pages, revtex, 3 uuencoded postscript figure

Experimental setup for low-energy laser-based angle resolved photoemission spectroscopy

A laser-based angle resolved photoemission (APRES) system utilizing 6 eV photons from the fourth harmonic of a mode-locked Ti:sapphire oscillator is described. This light source greatly increases the momentum resolution and photoelectron count rate, while reducing extrinsic background and surface sensitivity relative to higher energy light sources. In this review, the optical system is described, and special experimental considerations for low-energy ARPES are discussed. The calibration of the hemispherical electron analyzer for good low-energy angle-mode performance is also described. Finally, data from the heavily studied high T_c superconductor Bi2Sr2CaCu2O8+\delta (Bi2212) is compared to the results from higher photon energies.Comment: Please download final version from Journal-Re

Collective Modes and the Superconducting State Spectral Function of Bi2212

Photoemission spectra of the high temperature superconductor Bi2212 near (pi,0) show a dramatic change when cooling below Tc: the broad peak in the normal state turns into a sharp low energy peak followed by a higher binding energy hump. Recent experiments find that this low energy peak persists over a significant range in momentum space. We show in this paper that these data are well described by a simple model of electrons interacting with a collective mode which appears only below Tc.Comment: 4 pages, revtex, 4 encapsulated postscript figure