Physics – Condensed Matter – Superconductivity
Scientific paper
2011-08-02
J. Phys. Soc. Jpn. 80 (2011) 123701
Physics
Condensed Matter
Superconductivity
4 pages, 3 figures
Scientific paper
10.1143/JPSJ.80.123701
We study how Co- and Ni-substitution affect the electronic structure of the iron-based superconductor, LaFeAsO. We perform {\it ab initio} supercell calculations and unfold the first Brillouin zone (BZ) to calculate the spectral function in the BZ for the normal cell. The charge density distribution in real space shows that doped extra electrons are trapped around Co (Ni) atom. This seems to mean that Co(Ni)-substitution does not work as carrier doping. However, the present momentum-space analysis indicates that the Fermi-surface volume indeed expands by substitutions, which can be well described by the rigid-band shift. By taking into account this effective doping, we discuss whether the sign-reversing s-wave ($s_{\pm}$-wave) scenario is compatible with experiments.
Arita Ryotaro
Ikeda Hiroaki
Konbu Shun
Nakamura Kazuo
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