Physics – Condensed Matter – Superconductivity
Scientific paper
2007-06-29
PHYSICAL REVIEW B 76, 140508(R) (2007).
Physics
Condensed Matter
Superconductivity
Scientific paper
10.1103/PhysRevB.76.140508
In this paper we explore whether the quantum oscillation signals recently observed in ortho-II YBa$_2$Cu$_3$O$_{6.5}$ may be explained by conventional density functional band-structure theory. Our calculations show that the Fermi surface of YBa$_2$Cu$_3$O$_{6.5}$ is extremely sensitive to small shifts in the relative positions of the bands. With rigid band shifts of around 30 meV small tubular pockets of Fermi surface develop around the Y point in the Brillouin zone. The cross-sectional areas and band masses of the quantum oscillatory orbits on these pockets are close to those observed. The difference between the bandstructure of YBa$_2$Cu$_3$O$_{6.5}$ and YBa$_2$Cu$_4$O$_{8}$ are discussed.
Carrington Alan
Yelland E. A.
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