Fumiyasu Oba

Overview

Best Publications

• First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures

  Atsushi Togo;Fumiyasu Oba;Isao Tanaka

  5772
  Citations

• Defect energetics in ZnO: A hybrid Hartree-Fock density functional study

  Fumiyasu Oba;Atsushi Togo;Isao Tanaka;Joachim Paier

  1566
  Citations

• Band structure diagram paths based on crystallography

  Yoyo Hinuma;Yoyo Hinuma;Giovanni Pizzi;Yu Kumagai;Fumiyasu Oba;Fumiyasu Oba

  713
  Citations

• Energetics of native defects in ZnO

  Fumiyasu Oba;Shigeto R. Nishitani;Seiji Isotani;Hirohiko Adachi

  519
  Citations

• Electrostatics-based finite-size corrections for first-principles point defect calculations

  Yu Kumagai;Fumiyasu Oba;Fumiyasu Oba

  510
  Citations

• Effect of MnO2 Crystal Structure on Aerobic Oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic Acid.

  Eri Hayashi;Yui Yamaguchi;Keigo Kamata;Naoki Tsunoda

  449
  Citations

• Structures and energetics of Ga2O3 polymorphs

  S Yoshioka;H Hayashi;A Kuwabara;F Oba

  446
  Citations

• Point defects in ZnO: an approach from first principles

  Fumiyasu Oba;Minseok Choi;Atsushi Togo;Isao Tanaka

  418
  Citations

• Band alignment of semiconductors from density-functional theory and many-body perturbation theory

  Yoyo Hinuma;Andreas Grüneis;Georg Kresse;Fumiyasu Oba;Fumiyasu Oba

  371
  Citations

• First-principles calculations of native defects in tin monoxide

  A. Togo;F. Oba;I. Tanaka;K. Tatsumi

  355
  Citations

• Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations

  Tetsuya Tohei;Akihide Kuwabara;Fumiyasu Oba;Isao Tanaka

  333
  Citations

• Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis

  Yoyo Hinuma;Taisuke Hatakeyama;Yu Kumagai;Lee A. Burton

  298
  Citations

• Lattice dynamics of the tin sulphides SnS2, SnS and Sn2S3: vibrational spectra and thermal transport

  Jonathan M. Skelton;Lee A. Burton;Adam J. Jackson;Fumiyasu Oba

  296
  Citations

• First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound

  Kazuaki Toyoura;Yukinori Koyama;Akihide Kuwabara;Fumiyasu Oba

  290
  Citations

• Ionization potentials of solids: the importance of vertex corrections.

  Andreas Grüneis;Georg Kresse;Yoyo Hinuma;Fumiyasu Oba

  269
  Citations

• Carbon supersaturation due to paraequilibrium carburization: Stainless steels with greatly improved mechanical properties

  G. M. Michal;F. Ernst;H. Kahn;Y. Cao

  248
  Citations

• Intercalation and Push-Out Process with Spinel-to-Rocksalt Transition on Mg Insertion into Spinel Oxides in Magnesium Batteries

  Shinya Okamoto;Tetsu Ichitsubo;Tomoya Kawaguchi;Yu Kumagai

  212
  Citations

• Structure and Stability of a Homologous Series of Tin Oxides

  Atsuto Seko;Atsushi Togo;Fumiyasu Oba;Isao Tanaka

  189
  Citations

• Design and exploration of semiconductors from first principles: A review of recent advances

  Fumiyasu Oba;Fumiyasu Oba;Yu Kumagai;Yu Kumagai

  183
  Citations

• Electronic Structure and Defect Physics of Tin Sulfides: SnS, Sn 2 S 3 , and Sn S 2

  Yu Kumagai;Lee A. Burton;Aron Walsh;Fumiyasu Oba

  170
  Citations

• Shape Control in Epitaxial Electrodeposition: Cu2O Nanocubes on InP(001)

  Run Liu;Fumiyasu Oba;Eric W. Bohannan;Frank Ernst

  165
  Citations