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Oba Research Group

Tokyo Institute of Technology

研究業績PUBLICATIONS, PRESENTATIONS & AWARDS

NOTES

 当研究室は2015年4月に新設されました。以下はこれまでに大場が在籍した次の教育・研究機関での業績を含みます。

  • 2016~  東京工業大学科学技術創成研究院フロンティア材料研究所/物質理工学院材料系/元素戦略研究センター、物質・材料研究機構情報統合型物質・材料研究拠点(兼任)
  • 2015~2016  東京工業大学応用セラミックス研究所/大学院総合理工学研究科材料物理科学専攻/元素戦略研究センター、物質・材料研究機構情報統合型物質・材料研究拠点(兼任)
  • 2013~2015  京都大学大学院工学研究科材料工学専攻、東京工業大学元素戦略研究センター(兼任)
  • 2004~2013  京都大学大学院工学研究科材料工学専攻
  • 2002~2004  Department of Materials Science and Engineering at Case Western Reserve University(米国オハイオ州)
  • 2000~2002  東京大学工学部附属総合試験所(現 総合研究機構)
  • 1996~2000  京都大学大学院工学研究科材料工学専攻

 各メンバーの業績については、次のGoogle Scholarのページをご覧ください。


原著論文

  1. Y. Kumagai, K. Harada, H. Akamatsu, K. Matsuzaki, and F. Oba,
    "Carrier-induced band-gap variation and point defects in Zn3N2 from first principles",
    Phys. Rev. Applied 8, 014015-1-12 (2017). [Editors’ Suggestion]
  2. Y. Kumagai, K. T. Butler, A. Walsh, and F. Oba,
    "Theory of ionization potentials of nonmetallic solids",
    Phys. Rev. B 95, 125309-1-10 (2017).
  3. Y. Hinuma, Y. Kumagai, I. Tanaka, and F. Oba,
    "Band alignment of semiconductors and insulators using dielectric-dependent hybrid functionals: Toward high-throughput evaluation",
    Phys. Rev. B 95, 075302-1-10 (2017).
  4. Y. Hinuma, H. Hayashi, Y. Kumagai, I. Tanaka, and F. Oba,
    "Comparison of approximations in density functional theory calculations: Energetics and structure of binary oxides",
    Phys. Rev. B 96, 094102-1-24 (2017).
  5. L. Ding, P. Manuel, D. D. Khalyavin, F. Orlandi, Y. Kumagai, F. Oba, W. Yi, and A. A. Belik,
    "Unusual magnetic structure of the high-pressure synthesized perovskites ACrO3 (A=Sc, In, Tl)",
    Phys. Rev. B 95, 054432-1-7 (2017).
  6. H. Hayashi, S. Katayama, T. Komura, Y. Hinuma, T. Yokoyama, K. Mibu, F. Oba, and I. Tanaka,
    "Discovery of a novel Sn(II)-based oxide β-SnMoO4 for daylight-driven photocatalysis",
    Adv. Sci. 4, 1600246-1-8 (2017).
  7. Y. Hinuma, G. Pizzi, Y. Kumagai, F. Oba, and I. Tanaka,
    "Band structure diagram paths based on crystallography",
    Comput. Mater. Sci. 128, 140-184 (2017).
  8. J. M. Skelton, L. A. Burton, F. Oba, and A. Walsh,
    "Metastable cubic tin sulfide: A novel phonon-stable chiral semiconductor",
    APL Mater. 5, 036101-1-6 (2017).
  9. J. M. Skelton, L. A. Burton, F. Oba, and A. Walsh,
    "Chemical and lattice stability of the tin sulfides",
    J. Phys. Chem. C 121, 6446-6454 (2017).
  10. L. A. Burton, Y. Kumagai, A. Walsh, and F. Oba,
    "DFT investigation into the underperformance of sulfide materials in photovoltaic applications",
    J. Mater. Chem. A 5, 9132-9140 (2017).
  11. J. M. Skelton, L. A. Burton, A. J. Jackson, F. Oba, S. C. Parkera, and A. Walsh,
    "Lattice dynamics of the tin sulphides SnS2, SnS and Sn2S3: vibrational spectra and thermal transport",
    Phys. Chem. Chem. Phys. 19, 12452-12465 (2017).
  12. K. Fujita, T. Kawamoto, I. Yamada, O. Hernandez, H. Akamatsu, Y. Kumagai, F. Oba, P. Manuel, R. Fujikawa, S. Yoshida, M. Fukuda, and K. Tanaka,
    "Perovskite-type InCoO3 with low-spin Co3+: Effect of In–O covalency on structural stabilization in comparison with rare-earth series",
    Inorg. Chem. 56, 11113-11122 (2017).
  13. A. A. Belik, Y. Matsushita, Y. Kumagai, Y. Katsuya, M. Tanaka, S. Y. Stefanovich, B. I. Lazoryak, F. Oba, and K. Yamaura,
    "Complex structural behavior of BiMn7O12 quadruple perovskite",
    Inorg. Chem. 56, 12272-12281 (2017).
  14. Y. Hinuma, T. Hatakeyama, Y. Kumagai, L. A. Burton, H. Sato, Y. Muraba, S. Iimura, H. Hiramatsu, I. Tanaka, H. Hosono, and F. Oba,
    "Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis",
    Nature Commun. 7, 11962-1-10 (2016).
  15. Y. Kumagai, L. A. Burton, A. Walsh, and F. Oba,
    "Electronic structure and defect physics of tin sulfides: SnS, Sn2S3, and SnS2",
    Phys. Rev. Applied 6, 014009-1-14 (2016).
  16. A. A. Belik, W. Yi, Y. Kumagai, Y. Katsuya, M. Tanaka, and F. Oba,
    "LiNbO3-type oxide (Tl1-xScx)ScO3: High-pressure synthesis, crystal structure, and electronic properties",
    Inorg. Chem. 55, 1940-1945 (2016).
  17. S. Toyoda, K. Fukuda, K. Horiba, M. Oshima, K. Kumagai, Y. Kumagai, F. Oba, Y. Uchimoto, and E. Matsubara,
    "Ligancy-driven controlling of covalency and metallicity in a ruthenium two-dimensional system",
    Chem. Mater. 28, 5784-5790 (2016).
  18. S. Katayama, H. Hayashi, Y. Kumagai, F. Oba, and I. Tanaka,
    "Electronic structure and defect chemistry of tin(II) complex oxide SnNb2O6",
    J. Phys. Chem. C 120, 9604-9611 (2016).
  19. K. T. Butler, Y. Kumagai, F. Oba, and A. Walsh,
    "Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites",
    J. Mater. Chem. C 4, 1149-1158 (2016).
  20. Y. Hinuma, Y. Kumagai, F. Oba, and I. Tanaka,
    "Categorization of surface polarity from a crystallographic approach",
    Comput. Mater. Sci. 113, 221-230 (2016).
  21. S. Okamoto, T. Ichitsubo, T. Kawaguchi, Y. Kumagai, F. Oba, S. Yagi, K. Shimokawa, N. Goto, T. Doi, and E. Matsubara,
    "Intercalation and push-out process with spinel-to-rocksalt transition on Mg insertion into spinel oxides in magnesium batteries",
    Adv. Sci. 2, 1500072-1-9 (2015).
  22. T. Ichitsubo, S. Okamoto, T. Kawaguchi, Y. Kumagai, F. Oba, S. Yagi, N. Goto, T. Doi, and E. Matsubara,
    "Toward "rocking-chair type" Mg–Li dual-salt batteries",
    J. Mater. Chem. A 3, 10188-10194 (2015).
  23. S. Katayama, Y. Ogawa, H. Hayashi, F. Oba, and I. Tanaka,
    "Epitaxial growth of tin (II) niobate with a pyrochlore structure",
    J. Cryst. Growth 416, 126-129 (2015).
  24. A. Gruneis, G. Kresse, Y. Hinuma, and F. Oba,
    "Ionization potentials of solids: The importance of vertex corrections",
    Phys. Rev. Lett. 112, 096401-1-5 (2014).
  25. Y. Kumagai and F. Oba,
    "Electrostatics-based finite-size corrections for first-principles point defect calculations",
    Phys. Rev. B 89, 195205-1-15 (2014). [Editors’ Suggestion]
  26. Y. Kumagai, M. Choi, Y. Nose, and F. Oba,
    "First-principles study of point defects in chalcopyrite ZnSnP2",
    Phys. Rev. B 90, 125202-1-12 (2014).
  27. Y. Hinuma, A. Gruneis, G. Kresse, and F. Oba,
    "Band alignment of semiconductors from density-functional theory and many-body perturbation theory",
    Phys. Rev. B 90, 155405-1-16 (2014).
  28. R. Ishikawa, A. R. Lupini, F. Oba, S. D. Findlay, N. Shibata, T. Taniguchi, K. Watanabe, H. Hayashi, T. Sakai, I. Tanaka, Y. Ikuhara, and S. J. Pennycook,
    "Atomic structure of luminescent centers in high-efficiency Ce-doped w-AlN single crystal",
    Sci. Rep. 4, 3778-1-5 (2014).
  29. M. Choi, F. Oba, Y. Kumagai, and I. Tanaka,
    "Anti-ferrodistortive-like oxygen-octahedron rotation induced by the oxygen vacancy in cubic SrTiO3",
    Adv. Mater. 25, 86-90 (2013).
  30. H. Akamatsu, Y. Kumagai, F. Oba, K. Fujita, K. Tanaka, and I. Tanaka,
    "Strong spin-lattice coupling through oxygen octahedral rotation in divalent europium perovskites",
    Adv. Funct. Mater. 23, 1864-1872 (2013).
  31. R. Ishikawa, N. Shibata, F. Oba, T. Taniguchi, S. D. Findlay, I. Tanaka, and Y. Ikuhara,
    "Functional complex point-defect structure in a huge-size-mismatch system",
    Phys. Rev. Lett. 110, 065504-1-5 (2013).
  32. Y. Hinuma, F. Oba, and I. Tanaka,
    "Valence band offsets at zinc-blende heterointerfaces with misfit dislocations: A first-principles study",
    Phys. Rev. B 88, 075319-1-8 (2013).
  33. Y. Hinuma, F. Oba, Y. Kumagai, and I. Tanaka,
    "Band offsets of CuInSe2/CdS and CuInSe2/ZnS (110) interfaces: A hybrid density functional theory study",
    Phys. Rev. B 88, 035305-1-12 (2013).
  34. T. Yokoyama, F. Oba, A. Seko, H. Hayashi, Y. Nose, and I. Tanaka,
    "Theoretical photovoltaic conversion efficiencies of ZnSnP2, CdSnP2, and Zn1-xCdxSnP2 alloys",
    Appl. Phys. Express 6, 061201-1-3 (2013).
  35. Y. Hinuma, F. Oba, Y. Nose, and I. Tanaka,
    "First-principles study of valence band offsets at ZnSnP2/CdS, ZnSnP2/ZnS, and related chalcopyrite/zincblende heterointerfaces",
    J. Appl. Phys. 114, 043718-1-6 (2013).
  36. H. Murata, T. Taniguchi, S. Hishita, T. Yamamoto, F. Oba, and I. Tanaka,
    "Local environment of silicon in cubic boron nitride",
    J. Appl. Phys. 114, 233502-1-4 (2013).
  37. H. Hayashi, R. Huang, F. Oba, T. Hirayama, and I. Tanaka,
    "Site preference of cation vacancies in Mn-doped Ga2O3 with defective spinel structure",
    Appl. Phys. Lett. 101, 241906-1-4 (2012).
  38. Y. Hinuma, F. Oba, Y. Kumagai, and I. Tanaka,
    "Ionization potentials of (112) and (11-2) facet surfaces of CuInSe2 and CuGaSe2",
    Phys. Rev. B 86, 245433-1-7 (2012).
  39. Y. Kumagai, Y. Soda, F. Oba, A. Seko, and I. Tanaka,
    "First-principles calculations of the phase diagrams and band gaps in CuInSe2-CuGaSe2 and CuInSe2-CuAlSe2 pseudobinary systems",
    Phys. Rev. B 85, 033203-1-4 (2012).
  40. Y. Kumagai, A. Seko, F. Oba, and I. Tanaka,
    "Ground-state search in multicomponent magnetic systems",
    Phys. Rev. B 85, 012401-1-4 (2012).
  41. H. Akamatsu, K. Fujita, H. Hayashi, T. Kawamoto, Y. Kumagai, Y. Zong, K. Iwata, F. Oba, I. Tanaka, and K. Tanaka,
    "Crystal and electronic structure and magnetic properties of divalent europium perovskite oxides EuMO3 (M = Ti, Zr, and Hf): Experimental and first-principles approaches",
    Inorg. Chem. 51, 4560-4567 (2012).
  42. J. M. Polfus, K. Toyoura, F. Oba, I. Tanaka, and R. Haugsrud,
    "Defect chemistry of a BaZrO3 Σ3 (111) grain boundary by first principles calculations and space-charge theory",
    Phys. Chem. Chem. Phys. 14, 12339-12346 (2012).
  43. F. Oba, M. Choi, A. Togo, and I. Tanaka,
    "Point defects in ZnO: An approach from first principles",
    Sci. Tech. Adv. Mater. 12, 034302-1-14 (2011). [Topical Review]
  44. M. Choi, F. Oba, and I. Tanaka,
    "Electronic and structural properties of the oxygen vacancy in BaTiO3",
    Appl. Phys. Lett. 98, 172901-1-3 (2011).
  45. M. Choi, F. Oba, and I. Tanaka,
    "Hybrid density functional study of oxygen vacancies in KTaO3 and NaTaO3",
    Phys. Rev. B 83, 214107-1-6 (2011).
  46. H. Akamatsu, Y. Kumagai, F. Oba, K. Fujita, H. Murakami, K. Tanaka, and I. Tanaka,
    "Antiferromagnetic superexchange via 3d states of titanium in EuTiO3 as seen from hybrid Hartree-Fock density functional calculations",
    Phys. Rev. B 83, 214421-1-6 (2011).
  47. H. Hayashi, R. Huang, F. Oba, T. Hirayama, and I. Tanaka,
    "Epitaxial growth of Mn-doped γ-Ga2O3 on spinel substrate",
    J. Mater. Res. 26, 578-583 (2011).
  48. H. Hayashi, R. Huang, F. Oba, T. Hirayama, and I. Tanaka,
    "Atomistic structure and energetics of interface between Mn-doped γ-Ga2O3 and MgAl2O4",
    J. Mater. Sci. 46, 4169-4175 (2011).
  49. S. Katayama, H. Hayashi, F. Oba, and I. Tanaka,
    "Epitaxial growth and characterization of rocksalt ZnO thin films with low-level NiO alloying",
    Jpn. J. Appl. Phys. 50, 075503-1-5 (2011).
  50. F. Oba, A. Togo, I. Tanaka, K. Watanabe, and T. Taniguchi,
    "Doping of hexagonal boron nitride via intercalation: A theoretical prediction",
    Phys. Rev. B 81, 075125-1-6 (2010).
  51. A. Seko, F. Oba, and I. Tanaka,
    "Classification of spinel structures based on first-principles cluster expansion analysis",
    Phys. Rev. B 81, 054114-1-7 (2010).
  52. F. Oba, M. Choi, A. Togo, A. Seko, and I. Tanaka,
    "Native defects in oxide semiconductors: A density functional approach",
    J. Phys.: Condens. Matter 22, 384211-1-9 (2010). [in JPCM Highlights of 2010]
  53. I. Tanaka, A. Seko, A. Togo, Y. Koyama, and F. Oba,
    "Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first principles calculations",
    J. Phys.: Condens. Matter 22, 384207-1-8 (2010).
  54. T. Waki, S. Terazawa, Y. Tabata, F. Oba, C. Michioka, K. Yoshimura, S. Ikeda, H. Kobayashi, K. Ohoyama, and H. Nakamura,
    "Non-Fermi-liquid behavior on an iron-based itinerant electron magnet Fe3Mo3N",
    J. Phys. Soc. Jpn. 79, 043701-1-4 (2010).
  55. I. Tanaka, A. Togo, A. Seko, F. Oba, Y. Koyama, and A. Kuwabara,
    "Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations",
    J. Mater. Chem. 20, 10335-10344 (2010).
  56. M. Choi, F. Oba, and I. Tanaka,
    "Role of Ti antisite-like defects in SrTiO3",
    Phys. Rev. Lett. 103, 185502-1-4 (2009).
  57. Y. Kumagai, F. Oba, I. Yamada, M. Azuma, and I. Tanaka,
    "First-principles study of defect-induced potentials in Ca2CuO2Cl2",
    Phys. Rev. B 80, 085120-1-9 (2009).
  58. I. Kishida, F. Oba, Y. Koyama, A. Kuwabara, and I. Tanaka,
    "Variable anisotropy of ionic conduction in lithium nitride: Effect of duplex-charge transfer",
    Phys. Rev. B 80, 024116-1-6 (2009).
  59. M. Choi, K. Matsunaga, F. Oba, and I. Tanaka,
    "27Al NMR chemical shifts in oxide crystals: A first-principles study",
    J. Phys. Chem. C 113, 3869-3873 (2009).
  60. F. Oba, A. Togo, I. Tanaka, J. Paier, and G. Kresse,
    "Defect energetics in ZnO: A hybrid Hartree-Fock density functional study",
    Phys. Rev. B 77, 245202-1-6 (2008).
  61. A. Togo, F. Oba, and I. Tanaka,
    "Transition pathway of CO2 crystals under high pressures",
    Phys. Rev. B 77, 184101-1-5 (2008).
  62. A. Seko, A. Togo, F. Oba, and I. Tanaka,
    "Structure and stability of homologous series of tin oxides",
    Phys. Rev. Lett. 100, 045702-1-4 (2008).
  63. M. Choi, F. Oba, and I. Tanaka,
    "First-principles study of native defects and lanthanum impurities in NaTaO3",
    Phys. Rev. B 78, 014115-1-8 (2008).
  64. Y. Kumagai, H. Ikeno, F. Oba, K. Matsunaga, and I. Tanaka,
    "Effects of crystal structure on Co-L2,3 x-ray absorption near-edge structure and electron-energy-loss near-edge structure of trivalent cobalt oxides",
    Phys. Rev. B 77, 155124-1-9 (2008).
  65. K. Yuge, A. Seko, Y. Koyama, F. Oba, and I. Tanaka,
    "First-principles-based phase diagram of the cubic BNC ternary system",
    Phys. Rev. B 77, 094121-1-8 (2008).
  66. A. Togo, F. Oba, and I. Tanaka,
    "First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures",
    Phys. Rev. B 78, 134106-1-9 (2008).
  67. K. Toyoura, Y. Koyama, A. Kuwabara, F. Oba, and I. Tanaka,
    "First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound",
    Phys. Rev. B 78, 214303-1-12 (2008).
  68. I. Tanaka and F. Oba,
    "First principles calculations for modern ceramic science and engineering",
    J. Phys.: Condens. Matter 20, 064215-1-6 (2008).
  69. S. Yoshioka, F. Oba, R. Huang, I. Tanaka, T. Mizoguchi, and T. Yamamoto,
    "Atomic structures of supersaturated ZnO-Al2O3 solid solutions",
    J. Appl. Phys. 103, 014309-1-9 (2008).
  70. S. Yoshioka, K. Toyoura, F. Oba, A. Kuwabara, K. Matsunaga, and I. Tanaka,
    "First-principles investigation of R2O3(ZnO)3 (R=Al, Ga, and In) in homologous series of compounds",
    J. Solid State Chem. 181, 137-142 (2008).
  71. A. Kuwabara, Y. Saito, Y. Koyama, F. Oba, K. Matsunaga, and I. Tanaka,
    "First principles calculation of CO and H2 adsorption on strained Pt surface",
    Mater. Trans. 49, 2484-2490 (2008).
  72. K. Yuge, A. Seko, A. Kuwabara, F. Oba, and I. Tanaka,
    "Ordering and segregation of Cu75Pt25 (111) surface: A first-principles cluster expansion study",
    Phys. Rev. B 76, 045407-1-8 (2007).
  73. S. Sonoda, I. Tanaka, F. Oba, H. Ikeno, H. Hayashi, T. Yamamoto, Y. Yuba, K. Yoshida, M. Aoki, M. Asari, Y. Akasaka, K. Kindo, and H. Hori,
    "Awaking of ferromagnetism in GaMnN through control of Mn valence",
    Appl. Phys. Lett. 90, 012504-1-3 (2007).
  74. R. Huang, H. Hayashi, F. Oba, and I. Tanaka,
    "Microstructure of Mn-doped γ-Ga2O3 epitaxial film on sapphire (0001) with room temperature ferromagnetism",
    J. Appl. Phys. 101, 063526-1-6 (2007).
  75. S. Yoshioka, H. Hayashi, A. Kuwabara, F. Oba, K. Matsunaga, and I. Tanaka,
    "Structures and energetics of Ga2O3 polymorphs",
    J. Phys.: Condens. Matter 19, 346211-1-11 (2007).
  76. K. Toyoura, F. Oba, T. Ninomiya, A. Kuwabara, and I. Tanaka,
    "First-principles study of defect equilibria in lithium zinc nitride",
    J. Phys.: Condens. Matter 19, 046201-1-11 (2007).
  77. A. Togo, F. Oba, I. Tanaka, and K. Tatsumi,
    "First-principles calculations of native defects in tin monoxide",
    Phys. Rev. B 74, 195128-1-8 (2006).
  78. A. Seko, K. Yuge, F. Oba, A. Kuwabara, I. Tanaka, and T. Yamamoto,
    "First-principles study of cation disordering in MgAl2O4 spinel with cluster expansion and Monte Carlo simulation",
    Phys. Rev. B 73, 094116-1-6 (2006).
  79. T. Tohei, A. Kuwabara, F. Oba, and I. Tanaka,
    "Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations",
    Phys. Rev. B 73, 064304-1-7 (2006).
  80. A. Seko, K. Yuge, F. Oba, A. Kuwabara, and I. Tanaka,
    "Prediction of ground-state structures and order-disorder phase transitions in II-III spinel oxides: A combined cluster-expansion method and first-principles study",
    Phys. Rev. B 73, 184117-1-5 (2006).
  81. K. Yuge, A. Seko, A. Kuwabara, F. Oba, and I. Tanaka,
    "First-principles study of bulk ordering and surface segregation in PtRh binary alloys",
    Phys. Rev. B 74, 174202-1-13 (2006).
  82. H. Hayashi, R. Huang, H. Ikeno, F. Oba, S. Yoshioka, I. Tanaka, and S. Sonoda,
    "Room temperature ferromagnetism in Mn-doped γ-Ga2O3 with spinel structure",
    Appl. Phys. Lett. 89, 181903-1-3 (2006).
  83. G. M. Michal, F. Ernst, H. Kahn, Y. Cao, F. Oba, N. Agarwal, and A. H. Heuer,
    "Carbon supersaturation due to paraequilibrium carburization: Stainless steels with greatly improved mechanical properties",
    Acta Mater. 54, 1597-1606 (2006).
  84. I. Kishida, Y. Koyama, A. Kuwabara, T. Yamamoto, F. Oba, and I. Tanaka,
    "First principles calculations of migration energy of lithium ions in halides and chalcogenides",
    J. Phys. Chem. B 110, 8258-8262 (2006).
  85. S. Sonoda, I. Tanaka, H. Ikeno, T. Yamamoto, F. Oba, T. Araki, Y. Yamamoto, K. Suga, Y. Nanishi, Y. Akasaka, K. Kindo, and H. Hori,
    "Coexistence of Mn2+ and Mn3+ in ferromagnetic GaMnN",
    J. Phys.: Condens. Matter 18, 4615-4621 (2006).
  86. F. Ernst, G. M. Michal, F. Oba, L. Liu, J. Blush, and A. H. Heuer,
    "Gas-phase surface alloying under “kinetic control”: A novel approach to improving the surface properties of titanium alloys",
    Int. J. Mater. Res. 97, 597-606 (2006).
  87. F. Oba, F. Ernst, Y. Yu, R. Liu, H. M. Kothari, and J. A. Switzer,
    "Epitaxial growth of cuprous oxide electrodeposited onto semiconductor and metal substrates",
    J. Am. Ceram. Soc. 88, 253-270 (2005). [Feature Article]
  88. M. Kunisu, F. Oba, H. Ikeno, I. Tanaka, and T. Yamamoto,
    "Local environment of Mn dopant in ZnO by near-edge x-ray absorption fine structure analysis",
    Appl. Phys. Lett. 86, 121902-1-3 (2005).
  89. R. Liu, E. A. Kulp, F. Oba, E. W. Bohannan, F. Ernst, and J. A. Switzer,
    "Epitaxial electrodeposition of high-aspect-ratio Cu2O (110) nanostructures on InP(111)",
    Chem. Mater. 17, 725-729 (2005).
  90. T. Tohei, A. Kuwabara, T. Yamamoto, F. Oba, and I. Tanaka,
    "General rule for displacive phase transitions in perovskite compounds revisited by first principles calculations",
    Phys. Rev. Lett. 94, 035502-1-4 (2005).
  91. A. Seko, F. Oba, A. Kuwabara, and I. Tanaka,
    "Pressure-induced phase transition in ZnO and ZnO-MgO pseudobinary system: A first-principles lattice dynamics study",
    Phys. Rev. B 72, 024107-1-10 (2005).
  92. Y. Sato, T. Mizoguchi, F. Oba, Y. Ikuhara, and T. Yamamoto,
    "Arrangement of multiple structural units in a [0001] Σ49 tilt grain boundary in ZnO",
    Phys. Rev. B 72, 064109-1-7 (2005).
  93. F. Oba, Y. Sato, T. Yamamoto, H. Ohta, H. Hosono, and Y. Ikuhara,
    "Effect of boundary plane on the atomic structure of [0001] Σ7 tilt grain boundaries in ZnO",
    J. Mater. Sci. 40, 3067-3074 (2005).
  94. Y. Sato, T. Mizoguchi, F. Oba, M. Yodogawa, T. Yamamoto, and Y. Ikuhara,
    "Atomic and electronic structure of [0001]/(-1-230) Σ7 symmetric tilt grain boundary in undoped ZnO bicrystal with linear current-voltage characteristic",
    J. Mater. Sci. 40, 3059-3066 (2005).
  95. N. Shibata, F. Oba, T. Yamamoto, and Y. Ikuhara,
    "Systematic study of grain boundary atomistic structures and related properties in cubic zirconia bicrystals",
    Z. Metallkd. 96, 177-185 (2005).
  96. F. Oba, H. Ohta, Y. Sato, H. Hosono, T. Yamamoto, and Y. Ikuhara,
    "Atomic structure of [0001]-tilt grain boundaries in ZnO: A high-resolution TEM study of fiber-textured thin films",
    Phys. Rev. B 70, 125415-1-12 (2004).
  97. F. Oba, Y. Sugawara, K. Hasegawa, T. Izumi, Y. Shiohara, T. Hirayama, T. Yamamoto, and Y. Ikuhara,
    "Effectiveness of BaZrO3 buffer layer in SmBa2Cu3Oy epitaxial growth on MgO substrate: A first-principles study",
    J. Appl. Phys. 95, 2309-2318 (2004).
  98. Y. Sato, F. Oba, M. Yodogawa, T. Yamamoto, and Y. Ikuhara,
    "Grain boundary dependency of nonlinear current-voltage characteristics in Pr and Co doped ZnO bicrystals",
    J. Appl. Phys. 95, 1258-1264 (2004).
  99. Y. Sato, T. Mizoguchi, F. Oba, M. Yodogawa, T. Yamamoto, and Y. Ikuhara,
    "Identification of native defects around grain boundary in Pr-doped ZnO bicrystal using electron energy loss spectroscopy and first-principles calculations",
    Appl. Phys. Lett. 84, 5311-5313 (2004).
  100. N. Shibata, F. Oba, T. Yamamoto, and Y. Ikuhara,
    "Structure, energy and solute segregation behaviour of [110] symmetric tilt grain boundaries in yttria-stabilized cubic zirconia",
    Philos. Mag. 84, 2381-2415 (2004).
  101. J. S. Matsuda, F. Oba, T. Murata, T. Yamamoto, Y. Ikuhara, M. Mizuno, K. Nomura, T. Izumi, and Y. Shiohara,
    "Interfacial structures of Y123 and Nd123 films formed on MgO(001) substrates by liquid phase epitaxy",
    J. Mater. Res. 19, 2674-2682 (2004).
  102. F. Oba, Y. Sato, T. Yamamoto, Y. Ikuhara, and T. Sakuma,
    "Current-voltage characteristics of cobalt-doped inversion boundaries in zinc oxide bicrystals",
    J. Am. Ceram. Soc. 86, 1616-1618 (2003).
  103. N. Shibata, F. Oba, T. Yamamoto, T. Sakuma, and Y. Ikuhara,
    "Grain boundary faceting at Σ=3, [110]/{112} grain boundary in cubic zirconia bicrystal",
    Philos. Mag. 83, 2221-2246 (2003).
  104. R. Liu, F. Oba, E. W. Bohannan, F. Ernst, and J. A. Switzer,
    "Shape control in epitaxial electrodeposition: Cu2O nanocubes on InP (001)",
    Chem. Mater. 15, 4882-4885 (2003).
  105. R. Liu, E. W. Bohannan, J. A. Switzer, F. Oba, and F. Ernst,
    "Epitaxial electrodeposition of Cu2O films onto InP (001)",
    Appl. Phys. Lett. 83, 1944-1946 (2003).
  106. K. Hasegawa, J. Shibata, T. Izumi, Y. Shiohara, Y. Sugawara, T. Hirayama, F. Oba, and Y. Ikuhara,
    "Improvement of superconducting properties of SmBa2Cu3Oy films on MgO substrate by using BaZrO3 buffer layer",
    Physica C 392-396, 835-845 (2003).
  107. Y. Sato, F. Oba, M. Yodogawa, T. Yamamoto, and Y. Ikuhara,
    "Al-doped ZnO ceramics fabricated by mechanical alloying and high-pressure sintering technique",
    J. Mater. Sci. Lett. 22, 1201-1204 (2003).
  108. H. Moriwake, I. Tanaka, F. Oba, Y. Koyama, and H. Adachi,
    "First principles calculations of the formation energy of Cr/Al vacancies in spinel-type MgCr2O4 and MgAl2O4",
    Int. J. Quantum Chem. 91, 208-210 (2003).
  109. Y. Sato, T. Tanaka, F. Oba, T. Yamamoto, Y. Ikuhara, and T. Sakuma,
    "Non-linear current-voltage characteristics related to native defects in SrTiO3 and ZnO bicrystals",
    Sci. Tech. Adv. Mater. 4, 605-611 (2003).
  110. 長谷川勝哉, 和泉輝郎, 塩原融, 菅原義弘, 平山司, 大場史康, 幾原雄一,
    「BaZrO3バッファー層によるMgO基板上SmBa2Cu3Oy膜の面内配向性向上機構」,
    日本金属学会誌 67, 295-301 (2003).
  111. F. Oba, K. Tatsumi, I. Tanaka, and H. Adachi,
    "Effective doping in cubic Si3N4 and Ge3N4: A first-principles study",
    J. Am. Ceram. Soc. 85, 97-100 (2002).
  112. N. Shibata, F. Oba, T. Yamamoto, Y. Ikuhara, and T. Sakuma,
    "Atomic structure and solute segregation of a Σ=3, [110]/{111} grain boundary in an yttria stabilized cubic zirconia bicrystal",
    Philos. Mag. Lett. 82, 393-400 (2002).
  113. Y. Sato, F. Oba, T. Yamamoto, Y. Ikuhara, and T. Sakuma,
    "Current-voltage characteristics across [0001] twist boundaries in zinc oxide bicrystals",
    J. Am. Ceram. Soc. 85, 2142-2144 (2002).
  114. I. Tanaka, K. Tatsumi, M. Nakano, H. Adachi, and F. Oba,
    "First-principles calculations of anion-vacancies in oxides and nitrides",
    J. Am. Ceram. Soc. 85, 68-74 (2002).
  115. K. Tatsumi, I. Tanaka, H. Adachi, F. Oba, and T. Sekine,
    "Theoretical prediction of post-spinel phases of Si3N4",
    J. Am. Ceram. Soc. 85, 7-10 (2002).
  116. H. Moriwake, I. Tanaka, F. Oba, Y. Koyama, and H. Adachi,
    "Formation energy of Cr/Al-vacancies in spinel MgCr2O4 and MgAl2O4 by first principles calculations",
    Phys. Rev. B 65, 153103-1-4 (2002).
  117. I. Tanaka, F. Oba, T. Sekine, E. Ito, A. Kubo, K. Tatsumi, H. Adachi, and T. Yamamoto,
    "Hardness of cubic silicon nitride",
    J. Mater. Res. 17, 731-733 (2002).
  118. F. Oba, T. Yamamoto, Y. Ikuhara, I. Tanaka, and H. Adachi,
    "First-principles calculations of Co impurities and native defects in ZnO",
    Mater. Trans. 43, 1439-1443 (2002).
  119. T. Yamamoto, F. Oba, Y. Ikuhara, and T. Sakuma,
    "Current-voltage characteristics across small-angle symmetric tilt boundaries in Nb-doped SrTiO3 bicrystals",
    Mater. Trans. 43, 1537-1541 (2002).
  120. I. Tanaka, F. Oba, K. Tatsumi, M. Kunisu, M. Nakano, and H. Adach,
    "Theoretical formation energy of oxygen-vacancies in oxides",
    Mater. Trans. 43, 1426-1429 (2002).
  121. F. Oba, K. Tatsumi, H. Adachi, and I. Tanaka,
    "n- and p-type dopants for cubic silicon nitride",
    Appl. Phys. Lett. 78, 1577-1579 (2001).
  122. F. Oba, S. R. Nishitani, H. Adachi, I. Tanaka, M. Kohyama, and S. Tanaka,
    "Ab initio study of symmetric tilt boundaries in ZnO",
    Phys. Rev. B 63, 045410-1-10 (2001).
  123. F. Oba, S. R. Nishitani, S. Isotani, H. Adachi, and I. Tanaka,
    "Energetics of native defects in ZnO",
    J. Appl. Phys. 90, 824-828; 3665 (2001).
  124. T. Mizoguchi, M. Yoshiya, J. Li, F. Oba, I. Tanaka, and H. Adachi,
    "Electron-energy-loss near edge structures of six-fold-coordinated Zn in MgO",
    Ultramicroscopy 86, 363-370 (2001).
  125. F. Oba, H. Adachi, and I. Tanaka,
    "Energetics and electronic structure of point defects associated with oxygen excess at a tilt boundary of ZnO",
    J. Mater. Res. 15, 2167-2175 (2000).
  126. F. Oba, I. Tanaka, S. R. Nishitani, H. Adachi, B. Slater, and D. H. Gay,
    "Geometry and electronic structure of [0001] / (-1-230) Σ=7 symmetric tilt boundary in ZnO",
    Philos. Mag. A 80, 1567-1581 (2000).
  127. T. Mizoguchi, I. Tanaka, M. Yoshiya, F. Oba, K. Ogasawara, and H. Adachi,
    "Core-hole effects on theoretical electron-energy-loss near-edge structure and near-edge x-ray adsorption fine structure of MgO",
    Phys. Rev. B 61, 2180-2187 (2000).
  128. H. Moriwake, I. Tanaka, F. Oba, and H. Adachi,
    "Electronic structure and chemical bonding of MgCr2-xO4",
    Jpn. J. Appl. Phys. 39: Part 1, 513-516 (2000).
  129. F. Oba, I. Tanaka, and H. Adachi,
    "Effect of oxidation on chemical bonding around 3d transition-metal impurities in ZnO",
    Jpn. J. Appl. Phys. 38: Part 1, 3569-3575 (1999).
  130. K. Matsunaga, F. Oba, I. Tanaka, and H. Adachi,
    "Valence band structure of ZnO (10-10) surface by cluster calculation",
    J. Electroceram. 4: S1, 69-80 (1999).
  131. T. Mizoguchi, I. Tanaka, M. Yoshiya, F. Oba, and H. Adachi,
    "Theoretical calculation of oxygen K electron-energy-loss near-edge structure of Si-doped MgO",
    J. Phys.: Condens. Matter 11, 5661-5670 (1999).
  132. H. Kanda, M. Yoshiya, F. Oba, K. Ogasawara, I. Tanaka, and H. Adachi,
    "Cluster calculation of oxygen K-edge electron-energy-loss near-edge structure of NiO",
    Phys. Rev. B 58, 9693-9696 (1998).

国際会議プロシーディングス

  1. Y. Kumagai, L. A. Burton, A. Walsh, and F. Oba,
    "Ab initio study of point defects in tin sulfides",
    AMTC Lett. 5, 140-141 (2016).
  2. K. Harada, Y. Kumagai, K. Matsuzaki, T. Susaki, and F. Oba,
    "First-principles study of point defects in copper nitride",
    AMTC Lett. 5, 138-139 (2016).
  3. F. Oba,
    "Accurate predictions of defect properties in semiconductors: Towards understanding, screening, and discovery of materials",
    AMTC Lett. 5, 74-75 (2016).
  4. F. Oba,
    "Predictions of point defect, surface, and interface properties in semiconductors using first-principles calculations",
    AIP Conf. Proc. 1763, 040003-1-5 (2016).
  5. Y. Kumagai and F. Oba,
    "Finite-size correction for first-principles point defect calculations using a supercell approach",
    AMTC Lett. 4, 88-89 (2014).
  6. Y. Hinuma, F. Oba, and I. Tanaka,
    "Effects of misfit dislocations on the band alignment of zincblende semiconductors",
    AMTC Lett. 4, 90-91 (2014).
  7. S. Katayama, Y. Ogawa, H. Hayashi, F. Oba, and I. Tanaka,
    "Fabrication and characterization of Sn2M2O7(M=Nb, Ta) thin films",
    AMTC Lett. 4, 174-175 (2014).
  8. H. Hayashi, R. Huang, F. Oba, T. Hirayama, and I. Tanaka,
    "First-principles study of electronic structure in Mn-doped g-Ga2O3",
    AMTC Lett. 3, 118-119 (2012).
  9. S. Katayama, H. Hayashi, F. Oba, and I. Tanaka,
    "Fabrication and characterization of rocksalt Zn1-xNixO thin films",
    AMTC Lett. 3, 244-245 (2012).
  10. H. Akamatsu, F. Oba, Y. Kumagai, K. Fujita, K. Tanaka, and I. Tanaka,
    "Role of d states of B-site cations for spin-lattice coupling in Eu2+ perovskite oxides",
    AMTC Lett. 3, 250-251 (2012).
  11. R. Ishikawa, N. Shibata, F. Oba, T. Taniguchi, S. D. Findlay, I. Tanaka, and Y. Ikuhara,
    "Atomic-resolution STEM imaging in nitrides",
    AMTC Lett. 3, 174-175 (2012).
  12. A. Kuwabara, K. Toyoura, Y. Koyama, C. A. J. Fisher, F. Oba, K. Matsunaga, H. Moriwake, and I. Tanaka,
    "First principles calculations of point defects in acceptor-doped BaZrO3",
    AMTC Lett. 3, 120-121 (2012).
  13. M. Choi, F. Oba, and I. Tanaka,
    "Density functional study of Ti antisites in SrTiO3, BaTiO3, and PbTiO3",
    AMTC Lett. 2, 160-161 (2010).
  14. H. Hayashi, R. Huang, X. Wang, F. Oba, T. Hirayama, and I. Tanaka,
    "Synthesis of Mn-doped Ga2O3 epitaxial thin film with spinel structure",
    AMTC Lett. 2, 234-235 (2010).
  15. Y. Kumagai, A. Seko, F. Oba, and I. Tanaka,
    "Ground-state structures in MgO-NiO crystalline solutions",
    AMTC Lett. 2, 180-181 (2010).
  16. I. Tanaka, A. Seko, A. Togo, and F. Oba,
    "Statistical thermodynamics of oxides by combination of cluster expansion method and first principles calculations",
    AMTC Lett. 2, 154-155 (2010).
  17. H. Akamatsu, Y. Kumagai, F. Oba, K. Fujita, K. Tanaka, and I. Tanaka,
    "First-principles study of magnetism and electronic structure in Eu2+ perovskite oxides",
    AMTC Lett. 2, 162-163 (2010).
  18. I. Tanaka, A. Kuwabara, K. Yuge, A. Seko, F. Oba, and K. Matsunaga,
    "First principles calculations of advanced nitrides, oxides and alloys",
    Key. Eng. Mater. 403, 73-76 (2009).
  19. M. Choi, F. Oba, and I. Tanaka,
    "Energetics and electronic structure of point defects in NaTaO3",
    AMTC Lett. 1, 204-205 (2008).
  20. A. Seko, A. Togo, F. Oba, and I. Tanaka,
    "Structure and phase stability of nonstoichiometric compounds of tin oxides",
    AMTC Lett. 1, 198-199 (2008).
  21. H. Hayashi, R. Huang, H. Ikeno, S. Sonoda, F. Oba, and I. Tanaka,
    "Characterization of Ga2O3:Mn thin films with room temperature ferromagnetism",
    AMTC Lett. 1, 276-277 (2008).
  22. Y. Kumagai, H. Ikeno, F. Oba, K. Matsunaga, and I. Tanaka,
    "First-principles study of Co L2,3 XANES and ELNES of trivalent cobalt compounds",
    AMTC Lett. 1, 138-139 (2008).
  23. K. Yuge, A. Seko, Y. Koyama, A. Kuwabara, F. Oba, and I. Tanaka,
    "First-principles study on segregation and surface structures of Pt-Rh alloys",
    ECS Trans. 11, 749-758 (2007).
  24. N. Shibata, F. Oba, T. Yamamoto, and Y. Ikuhara,
    "Atomic-scale processes of grain-boundary faceting in a zirconia bicrystal",
    Mater. Sci. Forum, 558-559, 955-958 (2007).
  25. F. Oba, R. Liu, E. W. Bohannan, F. Ernst, and J. A. Switzer,
    "Microstructure of interfaces made by epitaxial electrodeposition
    Interfaces in Electronic Materials, ed. by L. P. Cook",
    The Electrochemical Society Proceedings Series PV2003-31, 101-110 (2006).
  26. N. Shibata, F. Oba, T. Yamamoto, and Y. Ikuhara,
    "Grain-boundary atomic structures in zirconia ceramics",
    Ceram. Eng. Sci. Proc. 27, 171-181 (2006).
  27. M. Mizuno, H. Araki, Y. Shirai, F. Oba, and I. Tanaka,
    "Identification of Mg vacancy in MgO by positron lifetime measurements and first-principles calculations",
    Diffus. Defect Data. Pt. A Defect Diffus. Forum, 242-244, 1-7 (2005).
  28. F. Ernst, G. M. Michal, Y. Cao, N. Agarwal, H. Kahn, F. Oba, and A. H. Heuer,
    "Paraequilibrium surface alloying with interstitial solutes: A new concept for improving the performance of medical devices",
    Proceedings of Materials & Processes for Medical Devices Conference, Boston, Nov 14-16, 2005.
  29. Y. Sato, F. Oba, M. Yodogawa, T. Yamamoto, and Y. Ikuhara,
    "Current-voltage characteristic and grain boundary structure in undoped and Pr and Co doped ZnO bicrystals",
    Proceedings of the 5th Pacific Rim International Conference on Advanced Materials and Processing (PRICM-5), Beijing, Nov 2-5, 2004 [Materials Science Forum, 475-479, 3867-3870 (2005).]
  30. T. Izumi, K. Hasegawa, Y. Shiohara, Y. Sugawara, T. Hirayama, F. Oba, and Y. Ikuhara,
    "Improvement of in-plane alignment and superconducting characteristics of SmBa2Cu3Oy film on textured NiO/Ni substrate by using BaZrO3 buffer layer",
    Epitaxial Growth of Functional Oxides, ed. by A. Goyal, Y. Kuo, O. Leonte, and W. Wong-Ng, The Electrochemical Society Proceedings Series PV 2003-29, 270-282 (2005).
  31. F. Oba, R. Liu, Y. Yu, E. W. Bohannan, F. Ernst, J. A. Switzer,
    "TEM Studies of Cu2O-Si and Cu2O-InP interfaces made by epitaxial electrodeposition",
    Proceedings of Microscopy & Microanalysis, Savannah, Georgia, USA, August 1-5, 2004.
  32. F. Oba, I. Tanaka, and H. Adachi,
    "Electronic states associated with bond disorder at ZnO grain boundaries",
    Adv. Quantum Chem. 42, 175-186 (2003).
  33. I. Tanaka, K. Tatsumi, F. Oba, and H. Adachi,
    "First-principles calculations of silicon nitrides and SiAlONs",
    Key. Eng. Mater. 247, 149-153 (2003).
  34. F. Oba, S. R. Nishitani, H. Adachi, I. Tanaka, M. Kohyama, and S. Tanaka,
    "Atomic and electronic structure of symmetric tilt boundaries in ZnO",
    Mater. Res. Soc. Symp. Proc. 654, AA1.2.1-6 (2001).
  35. F. Oba, T. Yamamoto, Y. Ikuhara, I. Tanaka, and H. Adachi,
    "Interaction of Co impurities and native defects in ZnO",
    Proceedings of the 4th Pacific Rim International Conference on Advanced Materials and Processing (PRICM4) 1, 555-558 (2001).
  36. I. Tanaka, F. Oba, K. Tatsumi, M. Nakano, and H. Adachi,
    "First principles calculations of oxygen-vacancies in oxides",
    Proceedings of the 4th Pacific Rim International Conference on Advanced Materials and Processing (PRICM4) 1, 545-548 (2001).
  37. F. Oba, S. R. Nishitani, H. Adachi, and I. Tanaka,
    "Electronic structure calculation of symmetric tilt boundaries in ZnO",
    Ceram. Trans. 118, 223-230 (2000).
  38. K. Ogasawara, T. Ishii, F. Oba, I. Tanaka, and H. Adachi,
    "First-principles calculation of optical spectra for transition-metal impurities doped in ZnO and ZnS",
    Mater. Res. Soc. Symp. Proc. 560, 341-346 (1999).
  39. M. Yodogawa, Y. Ikuhara, F. Oba, and I. Tanaka,
    "The role of Co ions on the appearance of non-linear I-V characteristics of ZnO-based ceramics",
    Key Eng. Mater. 157-158, 249-255 (1999).
  40. F. Oba, I. Tanaka, K. Ogasawara, and H. Adachi,
    "Interaction between oxygen and 3d transition-metal impurities on ZnO (10-10) surface",
    Proceedings of US-Japan Workshop on Electrically Active Ceramic Interfaces 141-144 (1998).

著書

  1. 田中功, 松永克志, 大場史康, 世古敦人,
    材料電子論入門 ― 第一原理計算の材料科学への応用, 内田老鶴圃 (2017).
  2. 大場史康,
    「理論から見た透明導電体の物性」,
    透明導電膜の技術(改訂3版)3.7節, 96-103 (2014).
  3. 大場史康,
    「半導体セラミックス -格子欠陥の原子・電子構造」,
    ナノマテリアル工学大系 第1巻ニューセラミックス・ガラス, 687-695 (2005).
  4. 大場史康,
    「半導体の物性シミュレーション - 第一原理計算を用いた物性シミュレーションの基礎と現状-」,
    バンドギャップエンジニアリング - 次世代高効率デバイスへの挑戦 -,第4章, 29-37 (2011).

解説

  1. 熊谷悠, 大場史康,
    「半導体材料探索に向けた計算データベースの開発」,
    固体物理 52, 725-732 (2017).
  2. 大場史康, 日沼洋陽, 熊谷悠,
    「第一原理計算による半導体の物性予測と物質探索」,
    まてりあ 56, 554-559 (2017).
  3. 大場史康, 平松秀典,
    「新しい赤色発光窒化物半導体の実現 」,
    現代化学 550, 41-43 (2017).
  4. 石川亮, 柴田直哉, 幾原雄一, 大場史康, Scott D. Findlay, 谷口尚, 田中功,
    「立方晶窒化ホウ素中に形成された複合点欠陥」,
    まてりあ 55, 609 (2016).
  5. 大場史康, 熊谷悠, 日沼洋陽,
    「先進計算科学による半導体物性の高精度予測と新物質探索」,
    工業材料 64, 30-34 (2016).
  6. 大場史康, 日沼洋陽, 熊谷悠,
    「半導体の基礎物性・格子欠陥特性の高精度理論予測と物質・材料探索への展開」,
    セラミックス 50, 542-545 (2015).
  7. 石川亮, 柴田直哉, 大場史康, 谷口尚, Scott D. Findlay, 田中功, 幾原雄一,
    「希土類添加cBN 結晶中に形成された複合点欠陥の局所構造解析」,
    ニューダイヤモンド 112, 13-15 (2014).
  8. 大場史康,
    「酸化物・窒化物半導体における点欠陥の電子構造と機能 ― 第一原理計算による新しい理解」,
    まてりあ 52, 350-356 (2013).
  9. F. Oba,
    "First-principles approaches to defect energetics in ZnO: A review",
    Chapter 1 in Zinc oxide, the future material for electronics: A Comprehensive review on ZnO physics and defects (Research Signpost, Trivandrum) 1-23 (2012).
  10. 大場史康,
    「第一原理計算による点欠陥の特性、ドーピングの予測」,
    応用物理学会第41回薄膜・表面物理基礎講座「実験補完ツールとしての材料シミュレーション入門」, 70-79 (2012).
  11. 世古敦人, 大場史康, 熊谷悠, 田中功,
    「第一原理熱力学計算によるセラミックス材料の相平衡」,
    セラミックス 47, 494-499 (2012).
  12. 田中功, 世古敦人, 大場史康, 東後篤史,
    「高精度第一原理計算に基づいたマテリアルズ・インフォマティクスの展開」,
    工業材料 60, 23-26 (2012).
  13. 大場史康,
    「酸化物半導体における点欠陥の電子構造と機能 - 第一原理計算によるアプローチ」,
    セラミックス 46, 490-494 (2011).
  14. 田中功, 世古敦人, 東後篤史, 大場史康, 松永克志,
    「第一原理計算に基づくセラミックスのナノ構造解析と設計指針:酸化スズを例に」,
    セラミックス 44, 679-683 (2009).
  15. 田中功, 世古敦人, 弓削是貴, 小山幸典, 大場史康, 松永克志,
    「第一原理熱力学によるナノ機能元素の理論計算」,
    まてりあ 48, 299-302 (2009).
  16. 谷口 尚, 渡邊賢司, 中山敦子, 大場史康, 田中功,
    「超高圧プロセスによる反応性溶媒を用いた機能性III族窒化物結晶の創製」,
    まてりあ 48, 311-316 (2009).
  17. 柴田直哉, 幾原雄一, 大場史康, 山本剛久,
    「ジルコニアΣ9粒界の周期ユニット構造」,
    まてりあ 45, 842 (2006).
  18. 大場史康,
    「原子・電子レベルで見た酸化物界面の構造」,
    まてりあ 44, 687-690 (2005).
  19. 佐藤幸生, 大場史康, 淀川正忠, 山本剛久, 幾原雄一,
    「ZnOにおける不純物偏析および電気特性の粒界依存性」,
    まてりあ 44, 965 (2005).
  20. 大場史康, 太田裕道, 細野秀雄, 佐藤幸生, 山本剛久, 幾原雄一,
    「ZnO中の傾角粒界の原子構造」,
    まてりあ 43, 985 (2004).
  21. 山本剛久, 大場史康, 幾原雄一, 佐久間健人,
    「電子セラミックスの粒界構造と電気的特性」,
    セラミックス 37, 435-440 (2002).
  22. 田中功, 大場史康, 森分博紀, 足立裕彦,
    「局在量子構造探求のための理論計算」,
    セラミックス 37, 423-429 (2002).
  23. 田中功, 大場史康, 吉矢真人, Wai-Yim Ching,
    「新しいスピネル型窒化物の材料設計」,
    マテリアルインテグレーション 6, 21-26 (2001).
  24. 田中功, 大場史康, 吉矢真人, 巽 一厳, Wai-Yim Ching,
    「新しいスピネル型立方晶窒化ケイ素」,
    応用物理 70, 1442-1446 (2001).
  25. 大場史康,
    「第一原理計算の手法 -バンド計算法-」,
    金属学会セミナーテキスト パソコンで学ぶ材料工学, 21-31 (2001).
  26. 田中功, 大場史康, 足立裕彦,
    「局在量子構造と材料機能 -酸化亜鉛セラミックスについて-」,
    まてりあ 39, 554-557 (2000).

招待講演

  1. F. Oba,
    "In silico design and exploration of novel nitride semiconductors",
    6th TPCRI Workshop, Nagoya, Nov. 12, 2017
  2. 大場史康,
    「第一原理計算による半導体物性の高精度予測と新物質探索」,
    粉体粉末冶金協会平成29年度秋季大会,京都市,2017年11月9日
  3. F. Oba,
    "In silico design and exploration of novel semiconductors",
    Car-Parrinello Molecular Dynamics (CPMD) 2017, Tsukuba, Oct. 18, 2017
  4. 大場史康,
    「第一原理計算と高圧合成による新規窒化物半導体の探索」,
    日本学術振興会第162委員会第105回研究会,東京都,2017年10月6日
  5. Y. Kumagai,
    "First-principles calculations on point defects in semiconductors",
    Frontiers in Materials Science 2017, Greifswald, Sep. 4, 2017
  6. F. Oba,
    "In silico design and exploration of novel nitride semiconductors",
    IUMRS-International Conference of Advanced Materials (ICAM) 2017, Kyoto, Aug. 30, 2017 (keynote talk)
  7. Y. Kumagai,
    "Computational materials database toward discovering novel semiconductors",
    Interdisciplinary symposium on modern density functional theory — iDFT, Wako, Jun. 23, 2017
  8. 大場史康,
    「第一原理計算による半導体物性の高精度予測と新物質探索」,
    日本金属学会2017年春期講演大会,東京都,2017年3月16日
  9. 大場史康,
    「インシリコスクリーニングによる新規窒化物半導体の発見」,
    第64回応用物理学会春季学術講演会,横浜市,2017年3月15日
  10. 大場史康,
    「新しい窒化物半導体の発見 ― in silicoスクリーニングによる予測と実験による実証」,
    JAPAN NANO 2017,東京都,2017年2月17日
  11. F. Oba,
    "In silico design and exploration of novel semiconductors",
    The 1st International Symposium on Novel Materials for Next Generation Electronics and Catalysis, Yokohama, Feb. 16, 2017
  12. 大場史康,
    「第一原理計算による半導体の物性・欠陥特性の高精度予測と新物質探索」,
    The 27th Meeting on Glasses for Photonics,東京都,2017年2月3日
  13. 熊谷悠,
    "First-principles investigation of point defects in non-metallic materials",
    第26回日本MRS年次大会,横浜市,2016年12月19日
  14. 大場史康,
    「第一原理計算による半導体の物性予測と物質探索」,
    日本学術振興会第166委員会第73回研究会,東京都,2016年11月4日
  15. 大場史康,
    「第一原理計算による半導体物性の高精度予測と新物質探索」,
    日本学術振興会第172委員会第31回研究会,つくば市,2016年10月21日
  16. 大場史康,
    「先進計算スクリーニングによる新規半導体の開拓」,
    スーパーコンピューティング技術産業応用協議会第35回セミナー,東京都,2016年9月21日
  17. 大場史康,
    「最新の第一原理計算とその応用: I. 半導体の物性予測の基礎,II. 半導体材料の設計・探索への応用」,
    第18回ファインセラミックスセンターナノ構造研究所材料計算セミナー,名古屋市,2016年8月4日
  18. 大場史康,
    「先端計算科学による半導体物性の高精度予測と新物質探索」,
    JOEM Workshop’16「ビッグデータ・人工知能時代の機能性材料開発とは?」,東京都,2016年7月15日
  19. 大場史康,
    「先進計算科学による半導体物性の高精度予測と新物質探索」,
    界面ナノ科学研究会,新潟県南魚沼郡,2016年7月4日
  20. F. Oba,
    "Accurate predictions of defect properties in semiconductors: Towards understanding, screening, and discovery of materials",
    The 5th International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC5), Nagoya, May 12, 2016
  21. 大場史康,
    「半導体の物性予測と物質探索 ― 先端計算科学からのアプローチ」,
    第63回応用物理学会春季学術講演会,東京都,2016年3月20日
  22. F. Oba,
    "Accurate predictions of defect properties in semiconductors: Towards understanding and screening of materials",
    2nd International Symposium on Frontiers in Materials Science, Tokyo, Nov. 20, 2015 (plenary talk)
  23. 熊谷悠,大場史康,
    「第一原理に基づく点欠陥計算の高精度化とその応用」,
    日本金属学会2015年秋期(第157回)講演大会,福岡市,2015年9月18日
  24. Y. Kumagai,
    "Predictions of point defect properties in semiconductors",
    PACRIM11, Jeju, Sep. 1, 2015
  25. 大場史康,
    「半導体における格子欠陥特性の理論予測の高精度化と物質探索への展開」,
    物性研・短期研究会「反応と輸送」, 柏市, 2015年6月26日
  26. F. Oba,
    "Accurate predictions of defect properties in semiconductors: Towards understanding and screening of materials",
    Tokyo Institute of Technology and Uppsala University Joint Workshop, Yokohama, Jun. 4, 2015
  27. F. Oba,
    "Point defects in functional oxides and nitrides: Understanding and prediction toward full utilization of material functionalities",
    The 17th Asian Workshop on First-Principles Electronic Structure Calculations, Seoul, Nov. 4, 2014
  28. F. Oba,
    "Complex behavior of point defects in functional oxides and nitrides: Insights from first principles",
    Energy Materials Nanotechnology Summer Meeting, Cancun, Jun. 10, 2014
  29. 大場史康,
    「TCOの理論計算」,
    日本学術振興会 透明酸化物光・電子材料第166 委員会 第63回研究会, 東京都, 2014年4月18日
  30. Y. Kumagai,
    "Structural domain walls in polar hexagonal manganites",
    APS March meeting 2014, Denver, Mar. 6, 2014
  31. F. Oba,
    "Band alignment of zinc-blende and chalcopyrite semiconductors: Effects of misfit dislocations",
    APS March Meeting 2014, Denver, Mar. 3, 2014
  32. F. Oba,
    "Point defects in oxide and nitride semiconductors: Understanding and prediction toward material screening",
    2013 MRS Fall Meeting, Boston, Dec. 3, 2013
  33. 大場史康,
    「ワイドギャップ半導体における点欠陥 ― 計算科学からのアプローチ」,
    日本学術振興会ワイドギャップ半導体光・電子デバイス第162委員会 第86回研究会, 名古屋市, 2013年10月10日
  34. F. Oba,
    "Complex behavior of defects in oxide semiconductors: Insights from first-principles calculations",
    International Symposium on Compound Semiconductors 2013 (ISCS2013), Kobe, May. 21, 2013
  35. 大場史康,
    「酸化物半導体における点欠陥の原子・電子構造と機能」,
    物性研究所共同利用スーパーコンピュータ・計算物質科学研究センター(CCMS)・元素戦略プロジェクト 合同研究会「計算物性物理学の新展開」, 柏市, 2013年1月11日
  36. F. Oba,
    "Complex behavior of point defects in oxide and nitride semiconductors: Insights from density functional calculations",
    The 5th International Symposium on Designing, Processing and Properties of Advanced Engineering Materials (ISAEM-2012), Toyohashi, Nov. 8, 2012
  37. 大場史康,
    「第一原理計算による点欠陥の特性、ドーピングの予測」,
    応用物理学会第41回薄膜・表面物理基礎講座, 東京都, 2012年10月18日
  38. 大場史康,
    「酸化物・窒化物半導体における点欠陥の電子構造と機能」,
    日本金属学会2012年秋期講演大会(第151回), 松山市, 2012年9月19日
  39. 大場史康,
    「酸化物半導体における点欠陥の電子構造と機能 ― 計算科学からのアプローチ」,
    第212回応用セラミックス研究所講演会, 横浜市, 2012年2月2日
  40. F. Oba,
    "Native point defects in functional oxides: An approach from first principles",
    Materials Science & Technology 2011, Columbus, Oct. 19, 2011
  41. F. Oba,
    "Density functional approach to point defects in oxide semiconductors",
    3rd International Congress on Ceramics(ICC3), Osaka, Nov. 15, 2010
  42. F. Oba,
    "Point defects in oxide semiconductors: A density functional approach",
    4th International Conference on the Science and Technology for Advanced Ceramics(STAC-4), Yokohama, Jun. 23, 2010
  43. F. Oba,
    "Energetics and electronic structure of native defects and dopants in ZnO",
    12th International Ceramics Congress, Montecatini Terme, Jun. 10, 2010
  44. 大場史康,
    「酸化物半導体における点欠陥の原子・電子構造 - 第一原理計算によるアプローチ」,
    日本物理学会第65回年次大会, 岡山市, 2010年3月21日
  45. 大場史康,
    「第一原理計算による酸化物半導体の点欠陥量子構造の設計」,
    第19回日本MRS学術シンポジウム, 横浜市, 2009年12月8日
  46. F. Oba,
    "Point defects in oxide semiconductors: An approach from first principles",
    The 3rd Theory Meets Industry International Workshop, Nagoya, Nov. 13, 2009
  47. 大場史康,
    「III族窒化物中のドーパントの配位環境と電子状態」,
    東北大学多元物質科学研究所 窒化物ナノ・エレクトロニクス材料研究センター講演会, 仙台市, 2008年10月30日
  48. F. Oba, H. Hayashi, R. Huang, H. Ikeno, S. Sonoda, and I. Tanaka,
    "Room temperature ferromagnetism in manganese-doped gallium oxide",
    Materials Science & Technology 2007, Detroit, Sep. 19, 2007
  49. 大場史康,
    「ワイドギャップ半導体中の格子欠陥の量子構造と電気的機能」,
    早稲田大学セミナー, 東京都, 2006年12月9日
  50. 大場史康, 菅原義弘, 平山司, 長谷川勝哉, 和泉輝郎, 塩原融, 山本剛久, 幾原雄一,
    「酸化物薄膜/バッファ層界面の原子構造とエネルギー」,
    日本セラミックス協会第17回秋季シンポジウム, 能美郡, 2004年9月19日
  51. F. Oba,
    "Atomic and electronic structure of grain boundaries in ZnO",
    Nagoya University Nature COE seminar, Nagoya, Jun. 22, 2004
  52. F. Oba, R. Liu, E. W. Bohannan, F. Ernst, and J. A. Switzer,
    "Microstructure of interfaces made by epitaxial electrodeposition",
    204th Meeting of the Electrochemical Society, Orlando, Oct. 14, 2003
  53. 大場史康, 田中功, 足立裕彦,
    「ZnO中の内因性点欠陥・不純物の形成エネルギーと電子状態」,
    新コンセプト熱電材料開発研究会, 名古屋, 2001年12月20日
  54. 大場史康,
    「第一原理計算の手法 ー バンド計算法」,
    金属学会セミナー「パソコンで学ぶ材料工学」, 東京都, 2001年12月3日

一般講演・ポスター発表(2016年以降の学生の発表を抜粋)

  1. Y. Mochizuki (M2), H. Akamatsu, Y. Kumagai, and F. Oba,
    "Peierls instability of a layered perovskite La3Ni2O7 under biaxial compressive strain via first-principles calculations" (poster),
    Car-Parrinello Molecular Dynamics (CPMD) 2017, Tsukuba, Oct. 19, 2017
  2. N. Tsunoda (B4), Y. Kumagai, and F. Oba,
    "Ab initio study of point defects and p-type doping in ScN" (poster),
    Car-Parrinello Molecular Dynamics (CPMD) 2017, Tsukuba, Oct. 19, 2017
  3. Y. Mochizuki (M2), H. Akamatsu, Y. Kumagai, and F. Oba,
    "First-principles study of strain-induced metal-insulator transition in a lanthanum nickelate layered perovskite" (poster),
    International Conference on Materials and Systems for Sustainability (ICMaSS) 2017, Nagoya, Sep. 30, 2017
  4. Y. Mochizuki (M2), H. Akamatsu, Y. Kumagai, and F. Oba,
    "Metal-insulator transition with structural distortion in a layered perovskite La3Ni2O7: A first-principles study" (poster),
    Frontiers in Materials Science 2017, Greifswald, Sep. 4, 2017
  5. Y. Mochizuki (M2), H. Akamatsu, Y. Kumagai, and F. Oba,
    "Metal-insulator phase transition induced by biaxial compressive strain in La3Ni2O7: A first-principles study" (oral),
    The Tenth International Conference on the Science and Technology for Advanced Ceramics (STAC-10), Yokohama, Aug. 3, 2017
  6. N. Nishiya (M2), K. Harada (M2), Y. Kumagai, H. Akamatsu, and F. Oba,
    "Theoretical study of doping limits in semiconductors" (poster),
    The Tenth International Conference on the Science and Technology for Advanced Ceramics (STAC-10), Yokohama, Aug. 2, 2017
  7. N. Tsunoda (B4), Y. Kumagai, and F. Oba,
    "Point defects in scandium nitride: A first-principles study" (poster),
    The Tenth International Conference on the Science and Technology for Advanced Ceramics (STAC-10), Yokohama, Aug. 2, 2017
  8. 西谷宣彦(M1),原田航(M1),熊谷悠,赤松寛文,大場史康,
    「化合物半導体における点欠陥形成とドーピング限界の理論的検討」(口頭発表),
    日本金属学会2017年春期講演大会,東京都,2017年3月16日
  9. 望月泰英(M1),赤松寛文,熊谷悠,大場史康,
    「第一原理計算による層状ペロブスカイトLa3Ni2O7の面内歪下における安定結晶構造探索」(口頭発表),
    日本金属学会2017年春期講演大会,東京都,2017年3月16日
  10. K. Harada (M1), Y. Kumagai, K. Matsuzaki, T. Susaki, and F. Oba,
    "Native point defects and impurities in copper nitride: A first-principles study" (oral),
    第26回日本MRS年次大会,横浜市,2016年12月20日
  11. N. Nishiya (M1), K. Harada (M1), Y. Kumagai, H. Akamatsu, and F. Oba,
    "Theoretical study of doping limits in semiconductors" (poster),
    第26回日本MRS年次大会,横浜市,2016年12月19日
  12. Y. Mochizuki (M1), H. Akamatsu, Y. Kumagai, and F. Oba,
    "Structural instability in a layered perovskite La3Ni2O7: A first principles study" (poster),
    第26回日本MRS年次大会,横浜市,2016年12月19日
  13. Y. Mochizuki (M1), H. Akamatsu, Y. Kumagai, and F. Oba,
    "First-principles study of structural distortion in a layered perovskite La3Ni2O7" (poster),
    The International Symposium on Visualization in Joining & Welding Science through Advanced Measurements and Simulation, Suita, Oct. 17, 2016
  14. 原田航(M1),熊谷悠,西谷宣彦(M1),松崎功佑,須崎友文,大場史康,
    「窒化銅中の点欠陥の第一原理計算」(口頭発表),
    日本金属学会2016年秋期講演大会,豊中市,2016年9月22日
  15. 西谷宣彦(M1),原田航(M1),熊谷悠,赤松寛文,大場史康,
    「第一原理計算による化合物半導体のドーピング限界の検討」(ポスター賞受賞),
    日本金属学会2016年秋期講演大会,豊中市,2016年9月21日
  16. 望月泰英(M1),赤松寛文,熊谷悠,大場史康,
    「第一原理計算による層状ペロブスカイト酸化物の基底状態構造探索」(ポスター),
    日本金属学会2016年秋期講演大会,豊中市,2016年9月21日
  17. K. Harada (M1), Y. Kumagai, K. Matsuzaki, T. Susaki, and F. Oba,
    "First-principles study of point defects in copper nitride" (poster),
    The 5th International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC5), Nagoya, May 12, 2016

受賞

  1. 大場史康,
    第75回日本金属学会功績賞, 2017年3月15日
  2. 赤松寛文,
    第26回日本MRS年次大会奨励賞, 2017年2月1日
  3. 西谷宣彦, 原田航, 熊谷悠, 赤松寛文, 大場史康
    日本金属学会2016年(第159回)秋期講演大会優秀ポスター賞, 2016年9月22日
  4. 熊谷悠,
    第25回日本MRS年次大会奨励賞, 2016年1月
  5. 熊谷悠,
    第25回日本金属学会奨励賞 [物性部門], 2015年9月
  6. 熊谷悠,
    第53回セラミックス基礎科学討論会 国際セッション優秀賞, 2015
  7. F. Oba, M. Choi, A. Togo, and I. Tanaka,
    STAM Best Paper Prize 2013, Dec. 2013
  8. 大場史康,
    第9回日本金属学会村上奨励賞, 2012年9月17日
  9. 大場史康,
    第31回本多記念研究奨励賞, 2010年5月14日
  10. 大場史康,
    第14回日本金属学会奨励賞, 2004年9月28日
  11. 佐藤幸生, 淀川正忠, 山本剛久, 大場史康, 幾原雄一,
    第29回日本セラミックス協会学術写真優秀賞, 2004年3月
  12. F. Oba, H. Ohta, H. Hosono, T. Yamamoto, and Y. Ikuhara,
    First Place in the TEM Category, American Ceramic Society Ceramographic Competition, Apr. 27, 2003
  13. 大場史康, 太田裕道, 山本剛久, 幾原雄一,
    第27回日本セラミックス協会学術写真優秀賞, 2002年3月25日
  14. 山本剛久, 大場史康, 幾原雄一,
    第27回日本セラミックス協会学術写真優秀賞, 2002年3月25日

バナースペース

東京工業大学 大場研究室

科学技術創成研究院フロンティア材料研究所/
物質理工学院材料系

すずかけ台キャンパスR3棟