List of works - Isao Tanaka

AlL2,3edge x-ray absorption spectra in III-V semiconductors: Many-body perturbation theory in comparison with experiment

scholarly article in Physical Review B, vol. 83 no. 19, May 2011

All-electron Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures

article by Weine Olovsson et al published 13 January 2009 in Physical Review B

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 structure diagram paths based on crystallography

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

Beam damage suppression of low-kappa porous Si-O-C films by cryo-electron-energy loss spectroscopy (EELS).

scientific article

Cluster expansion of multicomponent ionic systems with controlled accuracy: importance of long-range interactions in heterovalent ionic systems

scientific article published on 03 March 2014

Compositional descriptor-based recommender system for the materials discovery

scientific article published on 01 June 2018

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

Discovery of a Novel Sn(II)-Based Oxide β-SnMoO4 for Daylight-Driven Photocatalysis.

scientific article published on 8 September 2016

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

Double thermoelectric power factor of a 2D electron system.

scientific article published on 20 June 2018

Enumeration of nonequivalent substitutional structures using advanced data structure of binary decision diagram

scientific article published on 01 September 2020

First-Principles Study on Relaxor-Type Ferroelectric Behavior without Chemical Inhomogeneity in BaTaO2N and SrTaO2N

First-principles calculations of oxygen vacancy formation and metallic behavior at a β-MnO2 grain boundary

scientific article published on 15 January 2015

First-principles calculations of x-ray absorption near edge structure and energy loss near edge structure: present and future

scientific article

First-principles molecular dynamics study for average structure and oxygen diffusivity at high temperature in cubic Bi2O3

article published in 2012

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

scientific article published on 07 February 2013

Impact of local strain on Ti-L₂,₃ electron energy-loss near-edge structures of BaTiO₃: a first-principles multiplet study

scientific article published on 15 April 2014

Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors

scientific article

Li Intercalation into a β-MnO2 Grain Boundary

scientific article published on 08 April 2015

Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power

scientific article published on 01 June 2018

Lithium iron borates as high-capacity battery electrodes

scientific article published on 01 August 2010

Near-edge structures from first principles all-electron Bethe-Salpeter equation calculations

scientific article

Oxygen vacancy formation and reduction properties of β-MnO2 grain boundaries and the potential for high electrochemical performance

scientific article published on 06 October 2014

Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization ⬇️

scientific article published on 10 November 2015

Protonic defects in yttria stabilized zirconia: incorporation, trapping and migration

scientific article

Pure H⁻ conduction in oxyhydrides.

scientific article

Significant reduction in hydration energy for yttria stabilized zirconia grain boundaries and the consequences for proton conduction

scientific article published on 19 August 2014

Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors ⬇️

Surface design of alloy protection against CO-poisoning from first principles

scientific article published on 31 July 2014

Temperature-dependent phonon spectra of magnetic random solid solutions

Tetravalent dysprosium in a perovskite-type oxide

scientific article published on 19 March 2012

The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment

scientific article published on 9 July 2013

Theoretical ELNES using one-particle and multi-particle calculations.

scientific article published on 04 June 2010

Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles

scholarly article in Physical Review B, vol. 89 no. 20, May 2014

Vanadium L2,3 XANES experiments and first-principles multielectron calculations: Impact of second-nearest neighboring cations on vanadium-bearing fresnoites

scholarly article by T. Hoche et al published 28 March 2013 in American Mineralogist

Variation of Zr-L2,3XANES in tetravalent zirconium oxides

scientific article published on 03 April 2013

List of works by Isao Tanaka

AlL2,3edge x-ray absorption spectra in III-V semiconductors: Many-body perturbation theory in comparison with experiment

All-electron Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures

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 structure diagram paths based on crystallography

Beam damage suppression of low-kappa porous Si-O-C films by cryo-electron-energy loss spectroscopy (EELS).

Cluster expansion of multicomponent ionic systems with controlled accuracy: importance of long-range interactions in heterovalent ionic systems

Compositional descriptor-based recommender system for the materials discovery

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

Discovery of a Novel Sn(II)-Based Oxide β-SnMoO4 for Daylight-Driven Photocatalysis.

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

Doping of hexagonal boron nitride via intercalation: A theoretical prediction

Double thermoelectric power factor of a 2D electron system.

Enumeration of nonequivalent substitutional structures using advanced data structure of binary decision diagram

First-Principles Study on Relaxor-Type Ferroelectric Behavior without Chemical Inhomogeneity in BaTaO2N and SrTaO2N

First-principles calculations of oxygen vacancy formation and metallic behavior at a β-MnO2 grain boundary

First-principles calculations of x-ray absorption near edge structure and energy loss near edge structure: present and future

First-principles molecular dynamics study for average structure and oxygen diffusivity at high temperature in cubic Bi2O3

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

Impact of local strain on Ti-L₂,₃ electron energy-loss near-edge structures of BaTiO₃: a first-principles multiplet study

Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors

Li Intercalation into a β-MnO2 Grain Boundary

Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power

Lithium iron borates as high-capacity battery electrodes

Near-edge structures from first principles all-electron Bethe-Salpeter equation calculations

Oxygen vacancy formation and reduction properties of β-MnO2 grain boundaries and the potential for high electrochemical performance

Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization ⬇️

Protonic defects in yttria stabilized zirconia: incorporation, trapping and migration

Pure H⁻ conduction in oxyhydrides.

Significant reduction in hydration energy for yttria stabilized zirconia grain boundaries and the consequences for proton conduction

Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors ⬇️

Surface design of alloy protection against CO-poisoning from first principles

Temperature-dependent phonon spectra of magnetic random solid solutions

Tetravalent dysprosium in a perovskite-type oxide

The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment

Theoretical ELNES using one-particle and multi-particle calculations.

Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles

Vanadium L2,3 XANES experiments and first-principles multielectron calculations: Impact of second-nearest neighboring cations on vanadium-bearing fresnoites

Variation of Zr-L2,3XANES in tetravalent zirconium oxides

Zr coordination change during crystallization of MgO–Al2O3–SiO2–ZrO2 glass ceramics