Effect of symmetry distortions on photoelectron selection rules and spectra of Bi_2Sr_2CaCu_2O_{8+ delta}

We have performed systematic angle-resolved photoemission spectroscopy (ARPES) on single-layered cuprate superconductor Bi2Sr2CuO6 to elucidate the origin of shadow band. We found that the shadow band is exactly the c(2x2) replica of the main band irrespective of the carrier concentration and its intensity is invariable with respect to temperature, doping, and substitution constituents of block layers. This result rules out the possibility of antiferromagnetic correlation and...

The effects of structural supermodulation with the period $\lambda \approx26$ \AA \ along the $b$-axis of Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ have been observed in photoemission studies from the early days as the presence of diffraction replicas of the intrinsic electronic structure. Although predicted to affect the electronic structure of the Cu-O plane, the influence of supermodulation potential on Cu-O electrons has never been observed in photoemission. In the present study...

Angle-resolved photoemission spectroscopy (ARPES) on optimally doped Bi2Sr2Ca0.92Y0.08Cu2O(8+delta) uncovers a coupling of the electronic bands to a 40 meV mode in an extended k-space region away from the nodal direction, leading to a new interpretation of the strong renormalization of the electronic structure seen in Bi2212. Phenomenological agreements with neutron and Raman experiments suggest that this mode is the B1g oxygen bond-buckling phonon. A theoretical calculation ...

Materials-realistic microscopic theoretical descriptions of copper-based superconductors are challenging due to their complex crystal structures combined with strong electron interactions. Here, we demonstrate how ab initio calculations can accurately describe key structural, electronic, and magnetic properties of the normal state of the prototypical cuprate Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$ (Bi-2212). We emphasize the importance of accounting for energy-lowering structural disto...

High-resolution laser-based angle-resolved photoemission measurements have been carried out on Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ (Bi2212) and Bi$_2$Sr$_{2-x}$La$_x$CuO$_{6+\delta}$ (Bi2201) superconductors. Unexpected hybridization between the main band and the superstructure band in Bi2212 is clearly revealed. In the momentum space where one main Fermi surface intersects with one superstructure Fermi surface, four bands are observed instead of two. The hybridization exists ...

We have carried out extensive simulations of the angle-resolved photoemission (ARPES) intensity in Bi2212 within the one-step and three-step type models using a first-principles band theory framework. The focus is on understanding the behavior of emissions from the antibonding and bonding bands arising from the $CuO_2$ bilayers around the $\overline{M}(\pi,0)$ symmetry point. The specific issues addressed include: Dependencies of the photointensity on the energy and polarizat...

High resolution angle resolved photoemission data from Pb doped Bi_2Sr_2CaCu_2O_8 (Bi2212) with suppressed superstructure is presented. Improved resolution and very high momentum space sampling at various photon energies reveal the presence of two Fermi surface pieces. One has the hole-like topology, while the other one has its van Hove singularity very close to (pi,0), its topology at some photon energies resembles the electron-like piece. This result provides a unifying pic...

Based on angle resolved photoemission spectra measured on different systems at different dopings, momenta and photon energies, we show that the anomalously large spectral linewidth in the $(\pi,0)$ region of optimal doped and underdoped Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ has significant contributions from the bilayer splitting, and that the scattering rate in this region is considerably smaller than previously estimated. This new picture of the electronic excitation near $(\p...

We show that the ARPES spectra for emission from the bonding as well as the antibonding Fermi surface sheet in Bi$_2$Sr$_2$CaCu$_2$O$_8$ (Bi2212) possess remarkable site selectivity properties in that the emission for photon energies less than 25 eV is dominated by $p \to d$ excitations from just the O-sites in the CuO$_2$ planes. There is little contribution from Cu electrons to the ARPES intensity, even though the initial states at the Fermi energy contain an admixture of C...

We present detailed first-principles calculations for the normal state electronic properties of the high T$_C$ superconductor Bi$_2$Sr$_2$CaCu$_2$O$_8$, by means of the linearized augmented plane wave (LAPW) method within the framework of density functional theory (DFT). As a first step, the body centered tetragonal (BCT) cell has been adopted, and optimized regarding its volume, $c/a$ ratio and internal atomic positions by total energy and force minimizations. The full optim...