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The Physics of the Hume-Rothery Electron Concentration Rule
For a long time we have shared the belief that the physics of the Hume-Rothery electron concentration rule can be deepened only through thorough investigation of the interference phenomenon of
Electrons per atom ratio determination and Hume-Rothery electron concentration rule for P-based polar compounds studied by FLAPW-fourier calculations.
The extent to which reliable electrons per atom ratio, e/a, are determined and the validity of the Hume-Rothery stabilization mechanism are ensured upon increasing ionicity are studied by applying
Electronic structure of Zr-based metallic glasses
The electronic structure and phase stability of the Zr 66.7 Ni 33.3 and Zr 66.7 Cu 33.3 metallic glasses has been investigated by the recursion calculations method using a giant atom-cluster, of
Thermoelectric properties of Al82.6˛xRe17.4Six Ñ7ˇ xˇ 12Ö 1 / 1-cubic approximants
The thermoelectric power SsTd and thermal conductivity ksTd were systematically studied for a series of Al82.6˛xRe17.4Six s7 x 12d 1 / 1-cubic approximants. We found that SsTd of these approximants
Theoretical Foundation for the Hume-Rothery Electron Concentration Rule for Structurally Complex Alloys
Concentration Rule for Structurally Complex Alloys U. Mizutania,∗, H. Sato, M. Inukai and E.S. Zijlstra Nagoya Industrial Science Research Institute, 1-13 Yotsuya-dori, Chikusa-ku, Nagoya, 464-0819,
Energy gap formation mechanism through the interference phenomena of electrons in face-centered cubic elements and compounds with the emphasis on half-Heusler and Heusler compounds
Abstract Many face-centred cubic elements and compounds with the number of atoms per unit cell N equal to 8, 12 and 16 are known to be stabilised by forming either a band gap or a pseudogap at the
Determination of electrons per atom ratio for transition metal compounds studied by FLAPW-Fourier calculations
Abstract Among 54 elements in the periodic table, whose electrons per atom ratio e/a has been consistently determined within the framework of the Full-potential Linearised Augmented Plane
Synthesis and photochemical behavior of metalloporphyrin complexes containing a photochromic axial ligand
Abstract Metalloporphyrin complexes with a photochromic axial ligand were synthesized and photoisomerization behavior of those complexes was investigated. In this study, 3,3′-azopyridine (AZP) was
Interpretation of the Hume-Rothery electron concentration rule in the T 2 Zn 11 ( T = Ni , Pd, Co, and Fe) γ brasses based on first-principles FLAPW calculations
The first-principles full-potential augmented plane wave (FLAPW) band calculations were performed for a series of ${T}_{2}{\mathrm{Zn}}_{11}$ ($T=\mathrm{Ni}$, Pd, Co, and Fe) $\ensuremath{\gamma}$
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