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 - 2009 |
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Keywords
- Electron concentration
- Hume-Rothery electron concentration rule
- Phase stability
ASJC Scopus subject areas
- Condensed Matter Physics
- Inorganic Chemistry
- Materials Science(all)
Cite this
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. / Mizutani, Uichiro; Asahi, Ryoji; Takeuchi, Tsunehiro; Sato, Hirokazu; Kontsevoi, Oleg Y.; Freeman, Arthur J.
In: Zeitschrift fur Kristallographie, Vol. 224, No. 1-2, 2009, p. 17-20.Research output: Contribution to journal › Article
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TY - JOUR
T1 - 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
AU - Mizutani, Uichiro
AU - Asahi, Ryoji
AU - Takeuchi, Tsunehiro
AU - Sato, Hirokazu
AU - Kontsevoi, Oleg Y.
AU - Freeman, Arthur J
PY - 2009
Y1 - 2009
N2 - 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.
AB - 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.
KW - Electron concentration
KW - Hume-Rothery electron concentration rule
KW - Phase stability
UR - http://www.scopus.com/inward/record.url?scp=63849131837&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=63849131837&partnerID=8YFLogxK
U2 - 10.1524/zkri.2009.1078
DO - 10.1524/zkri.2009.1078
M3 - Article
AN - SCOPUS:63849131837
VL - 224
SP - 17
EP - 20
JO - Zeitschfrift fur Kristallographie
JF - Zeitschfrift fur Kristallographie
SN - 0044-2968
IS - 1-2
ER -