List of works - Fumiyasu Oba

Anti-ferrodistortive-like oxygen-octahedron rotation induced by the oxygen vacancy in cubic SrTiO3

scientific article published on 22 October 2012

Atomic structure of luminescent centers in high-efficiency Ce-doped w-AlN single crystal

scientific article published on 21 January 2014

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

scholarly article in Physical Review B, vol. 90 no. 15, October 2014

Band structure diagram paths based on crystallography

scholarly article by Yoyo Hinuma et al published February 2017 in Computational Materials Science

Chemical and Lattice Stability of the Tin Sulfides

scientific article

Complex Structural Behavior of BiMn7O12 Quadruple Perovskite

scientific article

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

scientific article published on 08 November 2019

Crystal and electronic structure and magnetic properties of divalent europium perovskite oxides EuMO3 (M = Ti, Zr, and Hf): experimental and first-principles approaches

scientific article published on 02 April 2012

DFT investigation into the underperformance of sulfide materials in photovoltaic applications

Defect chemistry of a BaZrO3 Σ3 (111) grain boundary by first principles calculations and space-charge theory

scientific article published on 03 August 2012

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

scholarly article in Physical Review B, vol. 77 no. 24, June 2008

Direct Observation of Magnetization Reversal by Electric Field at Room Temperature in Co-Substituted Bismuth Ferrite Thin Film

scientific article published on 07 February 2019

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

scientific article published on 21 June 2016

Doping of hexagonal boron nitride via intercalation: A theoretical prediction

scholarly article in Physical Review B, vol. 81 no. 7, February 2010

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

scientific article published on 07 January 2019

Electron-energy-loss near edge structures of six-fold-coordinated Zn in MgO

scientific article published on 01 February 2001

Electronic Structure and Defect Physics of Tin Sulfides: SnS,Sn2S3, andSnS2

First principles calculations for modern ceramic science and engineering.

scientific article published on 24 January 2008

First-principles calculations of migration energy of lithium ions in halides and chalcogenides

scientific article published in April 2006

Functional Complex Point-Defect Structure in a Huge-Size-Mismatch System

scientific article published on 07 February 2013

Heterogeneously Catalyzed Aerobic Oxidation of Sulfides with a BaRuO3 Nanoperovskite

scientific article published on 09 July 2018

High-Mobility p-Type and n-Type Copper Nitride Semiconductors by Direct Nitriding Synthesis and In Silico Doping Design

scientific article published on 19 June 2018

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

scientific article published on 10 June 2015

Ionization potentials of solids: the importance of vertex corrections

scientific article published on 7 March 2014

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

scientific article

Metastable cubic tin sulfide: A novel phonon-stable chiral semiconductor

Native defects in oxide semiconductors: a density functional approach

scientific article published on 07 September 2010

Perovskite-Type InCoO3 with Low-Spin Co3+: Effect of In-O Covalency on Structural Stabilization in Comparison with Rare-Earth Series

scientific article published on 7 September 2017

Phase relationships and structures of inorganic crystals by a combination of the cluster expansion method and first principles calculations.

scientific article published on 7 September 2010

Point defects in ZnO: an approach from first principles ⬇️

scientific article (publication date: June 2011)

Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites

Spin-Glass Magnetic Properties of A-Site Columnar-Ordered Quadruple Perovskites Y2MnGa(Mn4-xGax)O12 with 0 ≤ x ≤ 3

scientific article published on 22 October 2019

Structure and stability of a homologous series of tin oxides

scientific article published on 30 January 2008

Structures and energetics of Ga2O3polymorphs

Theory of ionization potentials of nonmetallic solids

scholarly article in Physical Review B, vol. 95 no. 12, March 2017

List of works by Fumiyasu Oba

Anti-ferrodistortive-like oxygen-octahedron rotation induced by the oxygen vacancy in cubic SrTiO3

Atomic structure of luminescent centers in high-efficiency Ce-doped w-AlN single crystal

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

Band structure diagram paths based on crystallography

Chemical and Lattice Stability of the Tin Sulfides

Complex Structural Behavior of BiMn7O12 Quadruple Perovskite

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

Crystal and electronic structure and magnetic properties of divalent europium perovskite oxides EuMO3 (M = Ti, Zr, and Hf): experimental and first-principles approaches

DFT investigation into the underperformance of sulfide materials in photovoltaic applications

Defect chemistry of a BaZrO3 Σ3 (111) grain boundary by first principles calculations and space-charge theory

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

Direct Observation of Magnetization Reversal by Electric Field at Room Temperature in Co-Substituted Bismuth Ferrite Thin Film

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

Doping of hexagonal boron nitride via intercalation: A theoretical prediction

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

Electron-energy-loss near edge structures of six-fold-coordinated Zn in MgO

Electronic Structure and Defect Physics of Tin Sulfides: SnS,Sn2S3, andSnS2

First principles calculations for modern ceramic science and engineering.

First-principles calculations of migration energy of lithium ions in halides and chalcogenides

Functional Complex Point-Defect Structure in a Huge-Size-Mismatch System

Heterogeneously Catalyzed Aerobic Oxidation of Sulfides with a BaRuO3 Nanoperovskite

High-Mobility p-Type and n-Type Copper Nitride Semiconductors by Direct Nitriding Synthesis and In Silico Doping Design

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

Ionization potentials of solids: the importance of vertex corrections

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

Metastable cubic tin sulfide: A novel phonon-stable chiral semiconductor

Native defects in oxide semiconductors: a density functional approach

Perovskite-Type InCoO3 with Low-Spin Co3+: Effect of In-O Covalency on Structural Stabilization in Comparison with Rare-Earth Series

Phase relationships and structures of inorganic crystals by a combination of the cluster expansion method and first principles calculations.

Point defects in ZnO: an approach from first principles ⬇️

Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites

Spin-Glass Magnetic Properties of A-Site Columnar-Ordered Quadruple Perovskites Y2MnGa(Mn4-xGax)O12 with 0 ≤ x ≤ 3

Structure and stability of a homologous series of tin oxides

Structures and energetics of Ga2O3polymorphs

Theory of ionization potentials of nonmetallic solids