Abstract
By using the FLAPW-Fourier method, we could determine the e/a value for A1-Cu-TM-Si (TM = Fe and Ru) 1/1-1/1-1/1 approximants and several B2 compounds including CuZn, NiZn, NiAl, MnZn, and AlMg. The NiAl, NiZn and MnZn B2-compounds involving the transition metal element as a partner element are found to be no longer regarded as the 3/2 electron compounds. Moreover, we found that the e/a value is not uniquely assigned to a given transition metal element but depends on its surrounding environments. Hence, it is difficult to use it as a universal parameter in an alloy design.
| Original language | English |
|---|---|
| Pages (from-to) | 17-20 |
| Number of pages | 4 |
| Journal | Zeitschrift fur Kristallographie |
| Volume | 224 |
| Issue number | 1-2 |
| DOIs | |
| Publication status | Published - Apr 13 2009 |
Keywords
- Electron concentration
- Hume-Rothery electron concentration rule
- Phase stability
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Inorganic Chemistry
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Mizutani, U., Asahi, R., Takeuchi, T., Sato, H., Kontsevoi, O. Y., & Freeman, A. J. (2009). e/a Determination for the transition metal element TM in Al-Cu-TM-Si (TM = Fe and Ru) approximants and B2-compounds by means of the FLAPW-Fourier method. Zeitschrift fur Kristallographie, 224(1-2), 17-20. https://doi.org/10.1524/zkri.2009.1078