2010 Fiscal Year Final Research Report
Universality and its limits of Hume-Rothery electron concentration rules in metallurgy
| Project/Area Number |
20560620
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical properties of metals
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| Research Institution | Toyota Physical & Chemical Research Institute |
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Principal Investigator |
MIZUTANI Uichiro Toyota Physical & Chemical Research Institute, 上席研究員 (00072679)
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| Project Period (FY) |
2008 – 2010
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| Keywords | 原子 / 電子構造 |
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| Research Abstract |
The gamma-brass containing 52 atoms per unit cell has been known as being typical of structurally complex alloy phases and stabilized at electrons per atom ratio e/a=21/13. This has been referred to as the Hume-Rothery electron concentration rule since the late 1920s. The principal investigator has developed the FLAPW-Fourier method to resolve quantitatively this empirical rule in the framework of the first-principles band calculations. The present research could prove that a series of gamma-brasses are stabilized by forming a pseudogap across the Fermi level as a result of the interaction of the Fermi surface with the Brillouin zone associated with the square of the reciprocal lattice vectors equal to 18.
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