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Origin of “Hot Spots” in the pseudogap regime of Nd1.85Ce0.15CuO4: An LDA + DMFT + Σk study

  • Electronic Properties of Solids
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Abstract

The material-specific electronic band structure of the electron-doped high- T c cuprate Nd1.85Ce0.15CuO4 (NCCO) is calculated in the pseudogap regime using the recently developed generalized LDA + DMFT + Σ k scheme. The LDA/DFT (density-functional theory within local density approximation) provides model parameters (hopping integral values and local Coulomb interaction strength) for the one-band Hubbard model, which is solved by the DMFT (dynamical mean-field theory). To take pseudogap fluctuations into account, the LDA + DMFT is supplied with an “external” k-dependent self-energy Σ k that describes interaction of correlated conducting electrons with nonlocal Heisenberg-like antiferromagnetic (AFM) spin fluctuations responsible for the pseudogap formation. Within this LDA + DMFT + Σ k approach, we demonstrate the formation of pronounced hot spots on the Fermi surface (FS) map in NCCO, opposite to our recent calculations for Bi2Sr2CaCu2O8 − δ (Bi2212), which have produced a rather extended region of the FS “destruction.” There are several physical reasons for this fact: (i) the hot spots in NCCO are located closer to the Brillouin zone center; (ii) the correlation length ξ of AFM fluctuations is longer for NCCO; (iii) the pseudogap potential Δ is stronger than in Bi2212. Comparison of our theoretical data with recent bulk-sensitive high-energy angle-resolved photoemission (ARPES) data for NCCO provides good semiquantitative agreement. Based on that comparison, an alternative explanation of the van Hove singularity at −0.3 eV is proposed. Optical conductivity for both Bi2212 and NCCO is also calculated within the LDA + DMFT + Δ k scheme and is compared with experimental results, demonstrating satisfactory agreement.

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Authors and Affiliations

  1. Institute for Electrophysics, Russian Academy of Sciences, Yekaterinburg, 620016, Russia

    E. E. Kokorina, E. Z. Kuchinskii, I. A. Nekrasov & M. V. Sadovskii

  2. Institute for Metal Physics, Russian Academy of Sciences, Yekaterinburg, 620219, Russia

    Z. V. Pchelkina

  3. Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka, 560-8531, Japan

    A. Sekiyama, S. Suga & M. Tsunekawa

Authors
  1. E. E. Kokorina
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  2. E. Z. Kuchinskii
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  3. I. A. Nekrasov
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  4. Z. V. Pchelkina
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  5. M. V. Sadovskii
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  6. A. Sekiyama
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  8. M. Tsunekawa
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Correspondence to I. A. Nekrasov.

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Kokorina, E.E., Kuchinskii, E.Z., Nekrasov, I.A. et al. Origin of “Hot Spots” in the pseudogap regime of Nd1.85Ce0.15CuO4: An LDA + DMFT + Σk study. J. Exp. Theor. Phys. 107, 828–838 (2008). https://doi.org/10.1134/S1063776108110137

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  • DOI: https://doi.org/10.1134/S1063776108110137

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