Abstract
The Fermi surface (FS) of Bi₂Sr₂CaCu₂O₈₊δ (Bi2212) predicted by band theory displays Bi-related pockets around the (π,0) point, which have never been observed experimentally. We show that when the effects of hole doping either by substituting Pb for Bi or by adding excess O in Bi2212 are included, the Bi-O bands are lifted above the Fermi energy (EF) and the resulting first-principles FS is in remarkable accord with measurements. With decreasing hole doping the Bi-O bands drop below EF and the system self-dopes below a critical hole concentration. Computations on other Bi- as well as Tl- and Hg-based compounds indicate that lifting of the cation-derived band with hole doping is a general property of the electronic structures of the cuprates.
Keywords
Fermi energy, Bi-O bands, Cuprate superconductors, band theory, Bi₂Sr₂CaCu₂O₈+δ
Subject Categories
Fermi surfaces, Superconductors
Disciplines
Physics
Publisher
American Physical Society
Publication Date
3-6-2006
Rights Information
Copyright 2006 American Physical Society.
Rights Holder
American Physical Society
Recommended Citation
Lin, Hsin; Sahrakorpi, S.; Markiewicz, R. S.; and Bansil, A., "Raising Bi-O bands above the Fermi energy level of hole-doped Bi₂Sr₂CaCu₂O₈+δ and other Cuprate superconductors" (2006). Physics Faculty Publications. Paper 419.
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Notes
Originally published in Physical Review Letters v.96 (2006): 097001. DOI: 10.1103/PhysRevLett.96.097001