Session J23: Focus Session: Cuprates and Nickelates

11:15 AM–2:15 PM, Tuesday, March 11, 2008
Morial Convention Center - 215

Sponsoring Units: DMP GMAG
Chair: John Tranquada, Brookhaven National Laboratory

Abstract ID: BAPS.2008.MAR.J23.10

Abstract: J23.00010 : Tuning Hole Mobility, Distribution and Repulsion in High-$T_c$ Cuprates via Apical Atoms

1:27 PM–1:39 PM

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Authors:

  Wei Ku
    (CMPMSD, Brookhaven National Lab; Physics Department, State University of New York, Stony Brook)

  Wei-Guo Yin
    (CMPMSD, Brookhaven National Lab)

Using a newly developed first-principles Wannier-states approach that takes into account large on-site Coulomb repulsion, we derive the low-energy effective one-band interacting Hamiltonians for several prototypical cuprate superconductors. The material dependence is found to originate primarily from the different energy of the apical atom $p_z$ state. Specifically, the general properties of the low-energy hole state, namely the Zhang-Rice singlet, are significantly modified, via additional intra-sublattice hoppings, nearest-neighbor ``super-repulsion,'' and other microscopic many-body processes. Possible implications on modulation of local pairing gaps, charge distribution, hole mobility, electron-phonon interaction, and multilayer effects will be discussed.

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2008.MAR.J23.10