Quasiparticle Electronic structure of Copper in the GW approximation

We show that the results of photoemission and inverse photoemission experiments on bulk copper can be quantitatively described within band-structure theory, with no evidence of effects beyond the single-quasiparticle approximation. The well known discrepancies between the experimental bandstructure and the Kohn-Sham eigenvalues of Density Functional Theory are almost completely corrected by self-energy effects. Exchange-correlation contributions to the self-energy arising from 3s and 3p core levels are shown to be crucial.Comment: 4 pages, 2 figures embedded in the text. 3 footnotes modified and 1 reference added. Small modifications also in the text. Accepted for publication in PR

Lifetime of d-holes at Cu surfaces: Theory and experiment

We have investigated the hole dynamics at copper surfaces by high-resolution angle-resolved photoemission experiments and many-body quasiparticle GW calculations. Large deviations from a free-electron-like picture are observed both in the magnitude and the energy dependence of the lifetimes, with a clear indication that holes exhibit longer lifetimes than electrons with the same excitation energy. Our calculations show that the small overlap of d- and sp-states below the Fermi level is responsible for the observed enhancement. Although there is qualitative good agreement of our theoretical predictions and the measured lifetimes, there still exist some discrepancies pointing to the need of a better description of the actual band structure of the solid.Comment: 15 pages, 7 figures, 1 table, to appear in Phys. Rev.

Spin polarization of the L-gap surface states on Au(111)

The electron spin polarization (ESP) of the L-gap surface states on Au(111) is investigated theoretically by means of first-principles electronic-structure and photoemission calculations. The surface states show a large spin-orbit induced in-plane ESP which is perpendicular to the in-plane wavevector, in close analogy to a two-dimensional electron gas with Rashba spin-orbit interaction. The surface corrugation leads to a small ESP component normal to the surface, being not reported so far. The surface-states ESP can be probed qualitatively and quantitatively by spin- and angle-resolved photoelectron spectroscopy, provided that the initial-state ESP is retained in the photoemission process and not obscured by spin-orbit induced polarization effects. Relativistic photoemission calculations provide detailed information on what photoemission set-ups allow to conclude from the photoelectron ESP on that of the surface states.Comment: 22 pages with 8 figure

Angle resolved photoemission spectroscopy of Sr_2CuO_2Cl_2 - a revisit

We have investigated the lowest binding-energy electronic structure of the model cuprate Sr_2CuO_2Cl_2 using angle resolved photoemission spectroscopy (ARPES). Our data from about 80 cleavages of Sr_2CuO_2Cl_2 single crystals give a comprehensive, self-consistent picture of the nature of the first electron-removal state in this model undoped CuO_2-plane cuprate. Firstly, we show a strong dependence on the polarization of the excitation light which is understandable in the context of the matrix element governing the photoemission process, which gives a state with the symmetry of a Zhang-Rice singlet. Secondly, the strong, oscillatory dependence of the intensity of the Zhang-Rice singlet on the exciting photon-energy is shown to be consistent with interference effects connected with the periodicity of the crystal structure in the crystallographic c-direction. Thirdly, we measured the dispersion of the first electron-removal states along G->(pi,pi) and G->(pi,0), the latter being controversial in the literature, and have shown that the data are best fitted using an extended t-J-model, and extract the relevant model parameters. An analysis of the spectral weight of the first ionization states for different excitation energies within the approach used by Leung et al. (Phys. Rev. B56, 6320 (1997)) results in a strongly photon-energy dependent ratio between the coherent and incoherent spectral weight. The possible reasons for this observation and its physical implications are discussed.Comment: 10 pages, 8 figure

ARPES: A probe of electronic correlations

Angle-resolved photoemission spectroscopy (ARPES) is one of the most direct methods of studying the electronic structure of solids. By measuring the kinetic energy and angular distribution of the electrons photoemitted from a sample illuminated with sufficiently high-energy radiation, one can gain information on both the energy and momentum of the electrons propagating inside a material. This is of vital importance in elucidating the connection between electronic, magnetic, and chemical structure of solids, in particular for those complex systems which cannot be appropriately described within the independent-particle picture. Among the various classes of complex systems, of great interest are the transition metal oxides, which have been at the center stage in condensed matter physics for the last four decades. Following a general introduction to the topic, we will lay the theoretical basis needed to understand the pivotal role of ARPES in the study of such systems. After a brief overview on the state-of-the-art capabilities of the technique, we will review some of the most interesting and relevant case studies of the novel physics revealed by ARPES in 3d-, 4d- and 5d-based oxides.Comment: Chapter to appear in "Strongly Correlated Systems: Experimental Techniques", edited by A. Avella and F. Mancini, Springer Series in Solid-State Sciences (2013). A high-resolution version can be found at: http://www.phas.ubc.ca/~quantmat/ARPES/PUBLICATIONS/Reviews/ARPES_Springer.pdf. arXiv admin note: text overlap with arXiv:cond-mat/0307085, arXiv:cond-mat/020850

Angle-resolved photoemission spectroscopy of the cuprate superconductors

This paper reviews the most recent ARPES results on the cuprate superconductors and their insulating parent and sister compounds, with the purpose of providing an updated summary of the extensive literature in this field. The low energy excitations are discussed with emphasis on some of the most relevant issues, such as the Fermi surface and remnant Fermi surface, the superconducting gap, the pseudogap and d-wave-like dispersion, evidence of electronic inhomogeneity and nano-scale phase separation, the emergence of coherent quasiparticles through the superconducting transition, and many-body effects in the one-particle spectral function due to the interaction of the charge with magnetic and/or lattice degrees of freedom. The first part of the paper introduces photoemission spectroscopy in the context of strongly interacting systems, along with an update on the state-of-the-art instrumentation. The second part provides a brief overview of the scientific issues relevant to the investigation of the low energy electronic structure by ARPES. The rest of the paper is devoted to the review of experimental results from the cuprates and the discussion is organized along conceptual lines: normal-state electronic structure, interlayer interaction, superconducting gap, coherent superconducting peak, pseudogap, electron self energy and collective modes. Within each topic, ARPES data from the various copper oxides are presented.Comment: Reviews of Modern Physics, in press. A HIGH-QUALITY pdf file is available at http://www.physics.ubc.ca/~damascel/RMP_ARPES.pd