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

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)17-20
Number of pages4
JournalZeitschrift fur Kristallographie
Volume224
Issue number1-2
DOIs
Publication statusPublished - 2009

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Chemical elements
Transition metals
transition metals
intermetallics
Intermetallics

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 journalArticle

Mizutani, Uichiro ; Asahi, Ryoji ; Takeuchi, Tsunehiro ; Sato, Hirokazu ; Kontsevoi, Oleg Y. ; Freeman, Arthur J. / 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. In: Zeitschrift fur Kristallographie. 2009 ; Vol. 224, No. 1-2. pp. 17-20.
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