Fermi surfaces and quantum oscillations in underdoped high-T$_{c}$ superconductors YBa$_{2}$Cu$_{3}$O$_{6.5 }$and YBa$_{2}$Cu$_{4}$O$_{8}$

ORAL

Abstract

We study the underdoped high-T$_{c}$ superconductors YBa$_{2}$Cu$_{3}$O$_{6.5}$ and YBa$_{2}$Cu$_{4}$O$_{8}$ using first-principles pseudopotential methods with additional Coulomb interactions at Cu atoms and obtain Fermi-surface pocket areas in close agreement with measured Shubnikov-de Haas and de Haas-van Alphen oscillations. With antiferromagnetic order in CuO$_{2}$ planes, stable in the calculations, small hole pockets are formed near so-called Fermi-arc positions, reproducing the low-frequency oscillations. A large electron pocket, necessary for the negative Hall coefficient, is formed in YBa$_{2}$Cu$_{3}$O$_{6.5}$, giving rise to the high-frequency oscillation as well. Effective masses and specific heats are also calculated and compared with measurements. Our results highlight the crucial role of magnetic order in the electronic structure of underdoped high-T$_{c}$ superconductors. This work was supported by the KRF Grant No. KRF-2007-314-C00075, the KOSEF Grant No. R01-2007-000-20922-0, NSF Grant No. DMR07-05941, and DOE under Contract No. DE-AC02-05CH11231. Computational resources have been provided by KISTI Supercomputing Center (Project No. KSC-2008-S02-0004), NSF through TeraGrid resources, and DOE NERSC.

–

Authors

  • Hyungju Oh

    • Department of Physics and IPAP, Yonsei University

  • Hyoung Joon Choi

    • Department of Physics and IPAP, Yonsei University
    • Department of Physics and IPAP, Yonsei University, Korea

  • Steven G. Louie

    • UC Berkeley and Lawrence Berkeley National Laboratory
    • Department of Physics, University of California, Berkeley. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California
    • University of California at Berkeley and Lawrence Berkeley National Lab
    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • University of California, Berkeley and Lawrence Berkeley National Laboratory
    • UC Berkeley
    • Department of Physics, University of California, Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • UC Berkeley and Lawrence Berkeley National Lab
    • UC Berkeley and LBNL
    • Department of Physics, University of California, Berkeley, and Materials Science Division, Lawrence Berkeley National Laboratory
    • Dept. of Physics, University of California Berkeley and The Molecular Foundry, LBNL
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720

  • Marvin L. Cohen

    • UC Berkeley and Lawrence Berkeley National Laboratory
    • Department of Physics, University of California, Berkeley. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California
    • UC Berkeley
    • Department of Physics, University of California, Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Department of Physics, University of California, Berkeley; Material Science Division, Lawrence Berkeley National Laboratory
    • Deptartment of Physics, University of California, Berkeley; Materials Science Division, Lawrence Berkeley National Laboratory
    • Department of Physics, University of California, Berkeley, and Materials Science Division, Lawrence Berkeley National Laboratory
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720