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• W2088940156 abstract "We study the Fermi surface of metallic, nonmagnetic ortho-II ${text{YBa}}_{2}{text{Cu}}_{3}{text{O}}_{6.5}$ using three different density-functional-based band-structure techniques [generalized gradient approximation (GGA), $text{GGA}+U$, and pseudo-self-interaction correction (PSIC)]. The calculated Fermi surface exhibits no pockets in $text{GGA}+U$ and PSIC, and a minor one in GGA. Upon shifting the Fermi level in the vicinity of the calculated value, we instead observe several pocket structures. We calculate their cross-sectional areas and cyclotron masses. Overall, our calculations show no solid evidence of the existence of electronlike---nor, in fact, of any---Fermi-surface pockets in this phase. This suggests that the origin of the pockets should be sought for in other different phases." @default.
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• W2088940156 date "2009-02-18" @default.
• W2088940156 modified "2023-09-25" @default.
• W2088940156 title "Fermi-surface pockets inYBa2Cu3O6.5: Comparison ofab initiotechniques" @default.
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• W2088940156 doi "https://doi.org/10.1103/physrevb.79.064519" @default.
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