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

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

doi:10.1103/PhysRevB.84.014518

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

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

DOI 10.1103/PhysRevB.84.014518 · Physical Review B

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Abstract

We study underdoped high-Tc superconductors YBa2Cu3O6.5 and YBa2Cu4O8 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.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
YBa2Cu3O6.5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
YBa2Cu4O8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown