Fermi surfaces and quantum oscillations in the underdoped high-T c superconductors YBa2Cu3O6.5 and YBa2Cu4O8

Hyungju Oh, Hyoung Joon Choi, Steven G. Louie, Marvin L. Cohen

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Abstract

We study underdoped high-Tc superconductors YBa 2Cu3O6.5 and YBa2Cu 4O8 using first-principles pseudopotential methods with additional Coulomb interactions at the 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 CuO2 planes, stable in the calculations, small hole pockets are formed near the so-called Fermi-arc positions in the Brillouin zone, which reproduce the low-frequency oscillations. A large electron pocket, necessary for the negative Hall coefficient, is also formed in YBa2Cu3O6.5, giving rise to the high-frequency oscillations as well. Effective masses and specific heats are also calculated. Our results highlight the important role of magnetic order in the electronic structure of underdoped high-Tc superconductors.

Original languageEnglish
Article number014518
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume84
Issue number1
DOIs
Publication statusPublished - 2011 Jul 11

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All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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