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First principles calculations for modern ceramic science and engineeringTANAKA, Isao; OBA, Fumiyasu.Journal of physics. Condensed matter (Print). 2008, Vol 20, Num 6, issn 0953-8984, 064215.1-064215.6Article

Structure, energy and solute segregation behaviour of [110] symmetric tilt grain boundaries in yttria-stabilized cubic zirconiaSHIBATA, Naoya; OBA, Fumiyasu; SAYAMAMOTO, Takahi et al.Philosophical magazine (2003. Print). 2004, Vol 84, Num 23, pp 2381-2415, issn 1478-6435, 35 p.Article

Current-voltage characteristics across small angle symmetric tilt boundaries in Nb-doped SrTiO3 bicrystals : Special issue on grain boundaries, interfaces, defects and localized quantum structures in ceramicsYAMAMOTO, Takahisa; OBA, Fumiyasu; IKUHARA, Yuichi et al.Materials transactions - JIM. 2002, Vol 43, Num 7, pp 1537-1541, issn 0916-1821Article

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

Pressure-induced phase transition in ZnO and ZnO-MgO pseudobinary system : A first-principles lattice dynamics studySEKO, Atsuto; OBA, Fumiyasu; KUWABARA, Akihide et al.Physical review B. Condensed matter and materials physics. 2006, Vol 72, Num 2, pp 024107.1-024107.10, issn 1098-0121Article

Arrangement of multiple structural units in a [0001] Σ49 tilt grain boundary in ZnOSATO, Yukio; MIZOGUCHI, Teruyasu; OBA, Fumiyasu et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 6, pp 064109.1-064109.7, issn 1098-0121Article

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

Phase relationships and structures of inorganic crystals by a combination of the cluster expansion method and first principles calculationsTANAKA, Isao; SEKO, Atsuto; TOGO, Atsushi et al.Journal of physics. Condensed matter (Print). 2010, Vol 22, Num 38, issn 0953-8984, 384207.1-384207.8Conference Paper

Current-voltage characteristics of cobalt-doped inversion boundaries in zinc oxide bicrystalsOBA, Fumiyasu; SATO, Yukio; YAMAMOTO, Takahisa et al.Journal of the American Ceramic Society. 2003, Vol 86, Num 9, pp 1616-1618, issn 0002-7820, 3 p.Article

First-principles calculations of Co impurities and native defects in ZnO : Special issue on grain boundaries, interfaces, defects and localized quantum structures in ceramicsOBA, Fumiyasu; YAMAMOTO, Takahisa; IKUHARA, Yuichi et al.Materials transactions - JIM. 2002, Vol 43, Num 7, pp 1439-1443, issn 0916-1821Article

Current-voltage characteristics across [0001] twist boundaries in zinc oxide bicrystalsSATO, Yukio; OBA, Fumiyasu; YAMAMOTO, Takahisa et al.Journal of the American Ceramic Society. 2002, Vol 85, Num 8, pp 2142-2144, issn 0002-7820Article

Native defects in oxide semiconductors: a density functional approachOBA, Fumiyasu; CHOI, Minseok; TOGO, Atsushi et al.Journal of physics. Condensed matter (Print). 2010, Vol 22, Num 38, issn 0953-8984, 384211.1-384211.9Conference Paper

Grain-boundary faceting at a Σ = 3, [110]/{112} grain boundary in a cubic zirconia bicrystalSHIBATA, Naoya; OBA, Fumiyasu; YAMAMOTO, Takahisa et al.Philosophical magazine (2003. Print). 2003, Vol 83, Num 19, pp 2221-2246, issn 1478-6435, 26 p.Article

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 formation energy of oxygen-vacancies in oxides : Special issue on grain boundaries, interfaces, defects and localized quantum structures in ceramicsTANAKA, Isao; OBA, Fumiyasu; TATSUMI, Kazuyoshi et al.Materials transactions - JIM. 2002, Vol 43, Num 7, pp 1426-1429, issn 0916-1821Article

Epitaxial growth of cuprous oxide electrodeposited onto semiconductor and metal substratesOBA, Fumiyasu; ERNST, Frank; YU, Yeonseop et al.Journal of the American Ceramic Society. 2005, Vol 88, Num 2, pp 253-270, issn 0002-7820, 18 p.Article

Atomic structure of [0001]-tilt grain boundaries in ZnO: A high-resolution TEM study of fiber-textured thin filmsOBA, Fumiyasu; OHTA, Hiromichi; SATO, Yukio et al.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 12, pp 125415.1-125415.12, issn 1098-0121Article

Defect chemistry of a BaZrO3 Σ3 (111) grain boundary by first principles calculations and space―charge theoryPOLFUS, Jonathan M; TOYOURA, Kazuaki; OBA, Fumiyasu et al.PCCP. Physical chemistry chemical physics (Print). 2012, Vol 14, Num 35, pp 12339-12346, issn 1463-9076, 8 p.Article

First-principles investigation of R2O3(ZnO)3 (R = Al, Ga, and In) in homologous series of compoundsYOSHIOKA, Satoru; TOYOURA, Kazuaki; OBA, Fumiyasu et al.Journal of solid state chemistry (Print). 2008, Vol 181, Num 1, pp 137-142, issn 0022-4596, 6 p.Article

Shape control in epitaxial electrodeposition: Cu2O nanocubes on InP(001)LIU, Run; OBA, Fumiyasu; BOHANNAN, Eric W et al.Chemistry of materials. 2003, Vol 15, Num 26, pp 4882-4885, issn 0897-4756, 4 p.Article

Improvement of superconducting properties of SmBa2Cu3Oy films on MgO substrate by using BaZrO3 buffer layerHASEGAWA, Katsuya; SHIBATA, Junko; IZUMI, Teruo et al.Physica. C. Superconductivity and its applications. 2003, Vol 392-96, pp 835-840, 6 p., 2Conference Paper

Non-Fermi-Liquid Behavior on an Iron-Based Itinerant Electron Magnet Fe3Mo3NWAKI, Takeshi; TERAZAWA, Shinsuke; TABATA, Yoshikazu et al.Journal of the Physical Society of Japan. 2010, Vol 79, Num 4, issn 0031-9015, 043701.1-043701.4Article

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

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