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.
N1 - Funding Information:
financial support of the Grant-in-Aid for Scientific Research (Contract No.20560620) from the Japan Society for the Promotion of Science. Two authors (OYK and AJF) acknowledge the support of the U.S. Air Force Office of Scientific Research (Grant No. FA9550-07-1-0013).
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 -