Physics – Condensed Matter – Superconductivity
Scientific paper
2009-10-19
Physics
Condensed Matter
Superconductivity
Scientific paper
We report density functional studies of the Fe$_{1-x}$Cu$_x$Se alloy done using supercell and coherent potential approximation methods. Magnetic behavior was investigated using the disordered local moment approach. We find that Cu occurs in a nominal $d^{10}$ configuration and is highly disruptive to the electronic structure of the Fe sheets. This would be consistent with a metal insulator transition due to Anderson localization. We further find a strong cross over from a weak moment itinerant system to a local moment magnet at $x \approx 0.12$. We associate this with the experimentally observed jump near this concentration. Our results are consistent with the characterization of this concentration dependent jump as a transition to a spin-glass.
Chadov Stanislav
Fecher Gerhard H.
Felser* Claudia
Schärf Daniel
Singh David J.
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