Effect of Hole Doping on the Electronic Structure of Tl2201

We discuss doping dependencies of the electronic structure and Fermi surface of the monolayer Tl$_{2-x}$Cu$_x$Ba$_2$CuO$_{6+\delta}$ (Tl2201). The TlO bands are found to be particularly sensitive to doping in that these bands rapidly move to higher energies as holes are added into the system. Such doping effects beyond the rigid band picture should be taken into account in analyzing and modeling the electronic spectra of the cuprates.Comment: 2 pages, Submitted to Physica C / Proceedings of the M2S-HTSC-VIII Conferenc

Evolution of Mid-gap States and Residual 3-Dimensionality in La2−x_{2-x}Srx_xCuO4_4

We have carried out extensive first principles doping-dependent computations of angle-resolved photoemission (ARPES) intensities in La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) over a wide range of binding energies. Intercell hopping and the associated 3-dimensionality, which is usually neglected in discussing cuprate physics, is shown to play a key role in shaping the ARPES spectra. Despite the obvious importance of strong coupling effects (e.g. the presence of a lower Hubbard band coexisting with mid-gap states in the doped insulator), we show that a number of salient features of the experimental ARPES spectra are captured to a surprisingly large extent when effects of $k_z$-dispersion are properly included in the analysis.Comment: 5 pages, 4 figure

Matrix Element and Strong Electron Correlation Effects in ARPES from Cuprates

We discuss selected results from our recent work concerning the ARPES (angle-resolved photoemission) spectra from the cuprates. Our focus is on developing an understanding of the effects of the ARPES matrix element and those of strong electron correlations in analyzing photointensities. With simulations on Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ (Bi2212), we show that the ARPES matrix element possesses remarkable selectivity properties, such that by tuning the photon energy and polarization, emission from the bonding or the antibonding states can be enhanced. Moreover, at low photon energies (below 25 eV), the Fermi surface (FS) emission is dominated by transitions from just the O-atoms in the CuO$_2$ planes. In connection with strong correlation effects, we consider the evolution with doping of the FS of Nd$_{2-x}$Ce$_x$CuO$_{4\pm\delta}$ (NCCO) in terms of the $t$-$t'$-$U$ Hubbard model Hamiltonian. We thus delineate how the FS evolves on electron doping from the insulating state in NCCO. The Mott pseudogap is found to collapse around optimal doping suggesting the existence of an associated quantum critical point.Comment: 5 pages, 4 figures, accepted to be published in Journal of Physics and Chemistry of Solid

Paramagnon-induced dispersion anomalies in the cuprates

We report the self-energy associated with RPA magnetic susceptibility in the hole-doped Bi_2Sr_2CuO_6 (Bi2201) and the electron-doped Nd_{2-x}Ce_xCuO_4 (NCCO) in the overdoped regime within the framework of a one-band Hubbard model. Strong weight is found in the magnetic spectrum around (pi, 0) at about 360 meV in Bi2201 and 640 meV in NCCO, which yields dispersion anomalies in accord with the recently observed `waterfall' effects in the cuprates.Comment: Submitted to PRL, Dec. 21, 2006; 4 eps figures, revte

Influence of the Third Dimension of Quasi-Two-Dimensional Cuprate Superconductors on Angle-Resolved Photoemission Spectra

Angle-resolved photoemission spectroscopy (ARPES) presents significant simplications in analyzing strictly two-dimensional (2D) materials, but even the most anisotropic physical systems display some residual three-dimensionality. Here we demonstrate how this third dimension manifests itself in ARPES spectra of quasi-2D materials by considering the example of the cuprate Bi$_2$Sr$_2$CaCu$_2$O$_{8}$ (Bi2212). The intercell, interlayer hopping, which is responsible for $k_z$-dispersion of the bands, is found to induce an irreducible broadening to the ARPES lineshapes with a characteristic dependence on the in-plane momentum $k_\parallel$. Our study suggests that ARPES lineshapes can provide a direct spectroscopic window for establishing the existence of coherent c-axis conductivity in a material via the detection of this new broadening mechanism, and bears on the understanding of 2D to 3D crossover and pseudogap and stripe physics in novel materials through ARPES experiments.Comment: 5 pages, 4 figure

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