Interpretation of the Hume-Rothery electron concentration rule in the T 2 Zn 11 ( T = Ni , Pd, Co, and Fe) γ brasses based on first-principles FLAPW calculations

@article{Asahi2005InterpretationOT,
  title={Interpretation of the Hume-Rothery electron concentration rule in the T 2 Zn 11 ( T = Ni , Pd, Co, and Fe) $\gamma$ brasses based on first-principles FLAPW calculations},
  author={Ryoji Asahi and Hirokazu Sato and Tsunehiro Takeuchi and Uichiro Mizutani},
  journal={Physical Review B},
  year={2005},
  volume={72},
  pages={125102}
}
The first-principles full-potential augmented plane wave (FLAPW) band calculations were performed for a series of ${T}_{2}{\mathrm{Zn}}_{11}$ ($T=\mathrm{Ni}$, Pd, Co, and Fe) $\ensuremath{\gamma}$ brasses to elucidate the Hume-Rothery electron concentration rule. The pseudogap is found immediately below the Fermi level ${E}_{F}$ in the ${\mathrm{Ni}}_{2}{\mathrm{Zn}}_{11}$ and ${\mathrm{Pd}}_{2}{\mathrm{Zn}}_{11}\phantom{\rule{0.3em}{0ex}}\ensuremath{\gamma}$ brasses. A resulting gain in the… 
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