THE HUME-ROTHERY ELECTRON-CONCENTRATION RULES AND 2ND MOMENT SCALING

被引:57
作者
HOISTAD, LM [1 ]
LEE, S [1 ]
机构
[1] UNIV MICHIGAN, DEPT CHEM, ANN ARBOR, MI 48109 USA
关键词
D O I
10.1021/ja00022a004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We show that the Hume-Rothery electron concentration rules for noble-metal and transition-metal alloys can be understood through simple molecular orbital theory. We consider simple structure types such as the face-centered-cubic, hexagonal-closest-packed, and body-centered-cubic structures as well as more complex structure types such as the sigma-phase, chi-phase, gamma-brass, and beta-Mn structures. Our results are the first theoretical calculations that corroborate the entire set of Hume-Rothery electron concentration rules.
引用
收藏
页码:8216 / 8220
页数:5
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