First-principles calculation of transition-metal L_2,3-edge electron-energy-loss near-edge structures based on direct diagonalization of the many-electron Hamiltonian : Special issue on grain boundaries, interfaces, defects and localized quantum structures in ceramicsOGASAWARA, Kazuyoshi; MIYAMAE, Toru; TANAKA, Isao et al.Materials transactions - JIM. 2002, Vol 43, Num 7, pp 1435-1438, issn 0916-1821Article

Variation of Kβ/Kα x-ray intensity ratios in 3d elementsMUKOYAMA, Takeshi; TANIGUCHI, Kazuo; ADACHI, Hirohiko et al.X-ray spectrometry. 2000, Vol 29, Num 6, pp 426-429, issn 0049-8246Article

Effective doping in cubic Si₃N₄ and Ge₃N₄: A first-principles study : Structure and properties of advanced nitrides and electronic nitridesOBA, Fumiyasu; TATSUMI, Kazuyoshi; TANAKA, Isao et al.Journal of the American Ceramic Society. 2002, Vol 85, Num 1, pp 97-100, issn 0002-7820Conference Paper

Theoretical prediction of post-spinel phases of silicon nitride : Structure and properties of advanced nitrides and electronic nitridesTATSUMI, Kazuyoshi; TANAKA, Isao; ADACHI, Hirohiko et al.Journal of the American Ceramic Society. 2002, Vol 85, Num 1, pp 7-10, issn 0002-7820Conference Paper

Solid-state chemistry and electrochemistry of LiCo_1/3Ni_1/3Mn_1/3O₂ for advanced lithium-ion batteries. I. First-principles calculation on the crystal and electronic structuresKOYAMA, Yukinori; YABUUCHI, Naoaki; TANAKA, Isao et al.Journal of the Electrochemical Society. 2004, Vol 151, Num 10, pp A1545-A1551, issn 0013-4651Article

First-principles calculations of anion vacancies in oxides and nitrides : Structure and properties of advanced nitrides and electronic nitridesTANAKA, Isao; TATSUMI, Kazuyoshi; NAKANO, Masanobu et al.Journal of the American Ceramic Society. 2002, Vol 85, Num 1, pp 68-74, issn 0002-7820Conference Paper

Theoretical calculation for the multiplet structures of tetrahedrally coordinated Cr⁴⁺ in silicate crystalsISHII, Takugo; FUJIMURA, Koji; OGASAWARA, Kazuyoshi et al.Journal of physics. Condensed matter (Print). 2001, Vol 13, Num 25, pp 5757-5784, issn 0953-8984Article

Theoretical calculation of B-K ELNES (Electron Energy Loss Near Edge Structure) from 3d transition metal-boron systemsTATSUMI, Kazuyoshi; MIZOGUCHI, Teruyasu; YOSHIYA, Masato et al.Nippon Kinzoku Gakkaishi (1952). 2000, Vol 64, Num 7, pp 527-534, issn 0021-4876Article

Theoretical study on the structure and energetics of intergranular glassy film in Si₃N₄-SiO₂ ceramicsYOSHIYA, Masato; TANAKA, Isao; ADACHI, Hirohiko et al.International journal of materials research. 2010, Vol 101, Num 1, pp 57-65, issn 1862-5282, 9 p.Conference Paper

Systematic research on insertion materials based on superlattice models in a phase triangle of LiCoO₂-LiNiO₂-LiMnO₂. I. First-principles calculation on electronic and crystal structures, phase stability and new LiNi_1/2Mn_1/2O₂ materialKOYAMA, Yukinori; MAKIMURA, Yoshinari; TANAKA, Isao et al.Journal of the Electrochemical Society. 2004, Vol 151, Num 9, pp A1499-A1506, issn 0013-4651Article

Elastic constants and chemical bonding of LaNi₅ and LaNi₅H₇ by first principles calculationsTATSUMI, Kazuyoshi; TANAKA, Isao; TANAKA, Katsushi et al.Journal of physics. Condensed matter (Print). 2003, Vol 15, Num 38, pp 6549-6561, issn 0953-8984, 13 p.Article

Grain boundary energies of Al simulated by environment-dependent embedded atom methodNISHITANI, Shigeto R; OHGUSHI, Sadaichiro; INOUE, Yuki et al.Materials science & engineering. A, Structural materials : properties, microstructure and processing. 2001, Vol 309-10, pp 490-494, issn 0921-5093Conference Paper

Evaluation of migration energy of lithium ions in chalcogenides and halides by first principles calculation : Special issue on grain boundaries, interfaces, defects and localized quantum structures in ceramicsKOYAMA, Yukinori; YAMADA, Yasuhiro; TANAKA, Isao et al.Materials transactions - JIM. 2002, Vol 43, Num 7, pp 1460-1463, issn 0916-1821Article

Theoretical solution energy of alkaline earth ions in lanthanum chromites : Special issue on grain boundaries, interfaces, defects and localized quantum structures in ceramicsMORIWAKE, Hiroki; TANAKA, Isao; TATSUMI, Kazuyoshi et al.Materials transactions - JIM. 2002, Vol 43, Num 7, pp 1456-1459, issn 0916-1821Article

Crystal and electronic structures of superstructural Li_1-x[CO_1/3Ni_1/3Mn_1/3]O₂ (0 ≤x ≤ 1)KOYAMA, Yukinori; TANAKA, Isao; ADACHI, Hirohiko et al.Journal of power sources. 2003, Vol 119-21, pp 644-648, issn 0378-7753, 5 p.Conference Paper

Electron-energy-loss near edge structures of six-fold-coordinated Zn in MgOMIZOGUCHI, Teruyasu; YOSHIYA, Masato; JIANG LI et al.Ultramicroscopy. 2001, Vol 86, Num 3-4, pp 363-370, issn 0304-3991Conference Paper

Variation of electronic state of AgI-based superionic conductors with movement of Ag ionsKOWADA, Yoshiyuki; YAMADA, Yoshinobu; TATSUMISAGO, Masahiro et al.Solid state ionics. 2000, Vol 136-37, pp 393-397, issn 0167-2738Conference Paper