Hume-Rothery Stabilization Mechanism in Tsai-Type Cd 6 Ca Approximant and e/a Determination of Ca and Cd Elements in the Periodic Table
Hume-Rothery Stabilization Mechanism in Tsai-Type Cd 6 Ca Approximant and e/a Determination of Ca and Cd Elements in the Periodic Table
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Tsai型Cd 6 Ca近似的休谟-罗瑟稳定机制及元素周期表中Ca和Cd元素的e/a测定
DOI：
10.1007/978-94-007-6431-6_14
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发表时间：
2013
期刊：
影响因子：
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通讯作者：
E. S. Zijlstra
中科院分区：
文献类型：
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作者：
U. Mizutani;M. Inukai;H. Sato;K. Nozawa;E. S. Zijlstra
我们对每个晶胞含有168个原子、空间群为Pm 3的蔡型Cd 6Ca进行了FLAPW电子结构计算和随后的FLAPW-傅里叶分析。费米直径的平方（2kF）2，e/a和临界倒易晶格矢量|G| 2s已确定。基于费米表面-布里渊区相互作用（Fs-Bz）的Hume Rothery稳定机制解释了费米能级上赝能隙的起源。直观上期望的e/a= 2。0已确认。通过将我们的工作扩展到Cd-Ca二元合金系统中存在的金属间化合物，我们确定了嵌入多价基体Cd中的Ca的e/a值。推导出Ca的有效e/a为2。
We performed FLAPW electronic structure calculations with subsequent FLAPW-Fourier analysis for Tsai-type Cd6Ca containing 168 atoms per unit cell with space group Pm 3. The square of the Fermi diameter (2kF) 2, e/a and critical reciprocal lattice vector| G| 2s were determined. The origin of the pseudogap across the Fermi level was interpreted in terms of the Hume–Rothery stabilization mechanism based on Fermi surface–Brillouin zone interactions (Fs–Bz) involved. The intuitively expected value of e/a= 2. 0 was confirmed. By extending our work to intermetallic compounds existing in the Cd–Ca binary alloy system, we determined the e/a values for Ca embedded in the polyvalent matrix Cd. The effective e/a for Ca was deduced to be two.
Zn6Sc 立方近似相变的实验证据。
DOI：
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发表时间：
2010
期刊：
Phys. Rev. B 82
影响因子：
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作者：
T.Yamada;R.Tamura;Y.Muro;K.Motoya;M.Isobe;Y.Ueda.
通讯作者：
Y.Ueda.