S
Shigeto R. Nishitani
Researcher at Kwansei Gakuin University
Publications - 47
Citations - 1199
Shigeto R. Nishitani is an academic researcher from Kwansei Gakuin University. The author has contributed to research in topics: Nucleation & Tight binding. The author has an hindex of 16, co-authored 47 publications receiving 1109 citations. Previous affiliations of Shigeto R. Nishitani include University of Oxford & Kyoto University.
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Energetics of native defects in ZnO
TL;DR: In this paper, the formation energies and electronic structure of native defects in ZnO were investigated by a first-principles plane-wave pseudopotential method, and the effect of self-compensation by the donor-type defects should be significant in p-type doping.
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Deformation of polysynthetically twinned crystals of TiAl with a nearly stoichiometric composition
TL;DR: In this paper, the authors show that the deformation behavior of polysynthetically twinned TiAl with a nearly stoichiometric composition depends strongly on the angle between the twin boundaries and the compression axis.
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hcp-bcc structural phase transformation of titanium: Analytic model calculations
TL;DR: In this paper, it was shown that the structural phase transformation of titanium occurs via anharmonicity effect of thermal lattice vibrations, and the fullpotential linear muffin-tin orbital method was used to derive the embedded atom potential for Ti.
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Semiconductive Nature of Lead-Based Metal-Organic Frameworks with Three-Dimensionally Extended Sulfur Secondary Building Units
Yoshinobu Kamakura,Pondchanok Chinapang,Shigeyuki Masaoka,Akinori Saeki,Kazuyoshi Ogasawara,Shigeto R. Nishitani,Hirofumi Yoshikawa,Tetsuro Katayama,Naoto Tamai,Kunihisa Sugimoto,Daisuke Tanaka,Daisuke Tanaka +11 more
TL;DR: The crystal structure of KGF-1 is reported, an example of a Pb-MOF composed of three-dimensionally extended sulfur-SBUs that displays molecular sieving behavior, visible-light absorption, and a semiconductor band structure and is a hydrogen-evolution photocatalyst.
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First-principles calculation on free energy of precipitate nucleation
TL;DR: In this paper, a modification of the nucleation theory enables reliable calculations of cluster free energies of precipitate nucleation by dividing the free energy into the cluster energy and entropy terms.