Physics – Condensed Matter – Superconductivity
Scientific paper
2005-06-03
Physics
Condensed Matter
Superconductivity
4 pages, 4 figures; PRL (2006, in press)
Scientific paper
10.1103/PhysRevLett.96.097001
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 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 ($E_F$) and the resulting first-principles FS is in remarkable accord with measurements. With decreasing hole-doping the Bi-O bands drop below $E_F$ 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.
Bansil Arun
Lin Hsin
Markiewicz Robert S.
Sahrakorpi S.
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