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

Uichiro Mizutani; Ryoji Asahi; Tsunehiro Takeuchi; Hirokazu Sato; Oleg Y. Kontsevoi; Arthur J. Freeman

doi:10.1524/zkri.2009.1078

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

Uichiro Mizutani, Ryoji Asahi, Tsunehiro Takeuchi, Hirokazu Sato, Oleg Y. Kontsevoi, Arthur J. Freeman

Northwestern University

Research output: Contribution to journal › Article › peer-review

12 Citations (Scopus)

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	https://doi.org/10.1524/zkri.2009.1078
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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10.1524/zkri.2009.1078

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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, 13.04.2009, p. 17-20.

Research output: Contribution to journal › Article › peer-review

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AU - Asahi, Ryoji

AU - Takeuchi, Tsunehiro

AU - Sato, Hirokazu

AU - Kontsevoi, Oleg Y.

AU - Freeman, Arthur J.

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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.

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