T
Tsuyoshi Miyazaki
Researcher at National Institute for Materials Science
Publications - 115
Citations - 3412
Tsuyoshi Miyazaki is an academic researcher from National Institute for Materials Science. The author has contributed to research in topics: Density functional theory & Ab initio. The author has an hindex of 26, co-authored 110 publications receiving 2892 citations. Previous affiliations of Tsuyoshi Miyazaki include Tokyo University of Science & University of Tokyo.
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Efficient Calculation of Electronic Structure Using O(N) Density Functional Theory.
Ayako Nakata,Yasunori Futamura,Tetsuya Sakurai,David R. Bowler,David R. Bowler,David R. Bowler,Tsuyoshi Miyazaki,Tsuyoshi Miyazaki +7 more
TL;DR: In this article, an efficient way to calculate the electronic structure of large systems by combining a large-scale first-principles density functional theory code, Conquest, and an efficient interior eigenproblem solver, the Sakurai-Sugiura method, was proposed.
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Density functional calculations of Ge(105): Local basis sets and O(N) methods
Tsuyoshi Miyazaki,David R. Bowler,David R. Bowler,R. Choudhury,Michael J. Gillan,Michael J. Gillan +5 more
TL;DR: In this paper, the buckling structure of the dimers forming the surface reconstruction is modeled using DFT and tight binding; two different structures are found to be close in stability, the second may be important in building hut-cluster facets [as opposed to perfect Ge(105) surfaces].
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Optimized multi-site local orbitals in the large-scale DFT program CONQUEST
TL;DR: In this paper, numerical optimization of multi-site support functions in the linear-scaling DFT code CONQUEST was introduced, where the coefficients were determined by using the local filter diagonalization (LFD) method.
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Cation Dependence of the Electronic States in Molecular Triangular Lattice System {\beta}'-X[Pd(dmit)_2]_2: A First-principles study
TL;DR: In this article, the electronic structure of an isostructural series of molecular conductors is systematically studied by a first-principles method based on the density functional theory, and the calculated band structures are fitted to the tight-binding model based on Pd(dmit)_2 dimers on the triangular lattice.
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Electronic structure of organic carrier transporting material/metal interfaces as a model interface of electroluminescent device studied by UV photoemission
Kiyoshi Sugiyama,Daisuke Yoshimura,Eisuke Ito,Tsuyoshi Miyazaki,Y. Hamatani,I. Kawamoto,H. Ishii,Yukio Ouchi,Kanako Seki +8 more
TL;DR: In this paper, a model interface of organic electroluminescent (EL) devices using UV photoemission spectroscopy (UPS) was investigated, and an abrupt shift of vacuum level was observed, in contrast to the traditional assumption of common vacuum level at the interface.