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The Fermi surface (FS) of Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$  (Bi2212) predicted by band theory displays Bi-related pockets around the$(\pi,0)$ point, which have never been observed experimentally. We show thatwhen the effects of hole doping either by substituting Pb for Bi or by addingexcess O in Bi2212 are included, the Bi-O bands are lifted above the Fermienergy ($E_F$) and the resulting first-principles FS is in remarkable accordwith measurements. With decreasing hole-doping the Bi-O bands drop below $E_F$and the system self-dopes below a critical hole concentration. Computations onother Bi- as well as Tl- and Hg-based compounds indicate that lifting of thecation-derived band with hole doping is a general property of the electronicstructures of the cuprates.Comment: 4 pages, 4 figures; PRL (2006, in press

physical review letters

Raising Bi-O Bands above the Fermi Energy Level of Hole-Doped<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Bi</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Sr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>CaCu</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mrow><mml:mn>8</mml:mn><mml:mo>+</mml:mo><mml:mi>δ</mml:mi></mml:mrow></mml:msub></mml:math>and Other Cuprate Superconductors

Raising Bi-O Bands above the Fermi Energy Level of Hole-DopedBi2Sr2CaCu2O8+δand Other Cuprate Superconductors