A
Atsushi Togo
Researcher at Kyoto University
Publications - 56
Citations - 19687
Atsushi Togo is an academic researcher from Kyoto University. The author has contributed to research in topics: Phonon & Anharmonicity. The author has an hindex of 28, co-authored 46 publications receiving 15145 citations. Previous affiliations of Atsushi Togo include National Institute for Materials Science & Centre national de la recherche scientifique.
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First principles phonon calculations in materials science
Atsushi Togo,Isao Tanaka +1 more
TL;DR: In this paper, the authors demonstrate phonon properties with fundamental equations and show examples how the phonon calculations are applied in materials science, and demonstrate the importance of first principles phonon calculation in dynamical behaviors and thermal properties.
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First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures
TL;DR: In this article, the tetragonal to orthorhombic ferroelastic phase transition between rutile- and CaCl-type phonon modes at high pressures is studied using first-principles calculations and the Landau free-energy expansion.
Posted Content
First principles phonon calculations in materials science
Atsushi Togo,Isao Tanaka +1 more
TL;DR: In this article, the authors demonstrate phonon properties with fundamental equations and show examples how the phonon calculations are applied in materials science, and demonstrate the importance of first principles phonon calculation in dynamical behaviors and thermal properties.
Journal ArticleDOI
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
TL;DR: In this article, first-principles calculations based on hybrid Hartree-Fock density functionals provide a clear picture of the defect energetics and electronic structure in ZnO.
Journal ArticleDOI
Distributions of phonon lifetimes in Brillouin zones
TL;DR: In this article, a comprehensive study of phonon lifetimes and thermal conductivity for 33 zincblende- and wurtzite compounds using linearized phonon Boltzmann equation and first-principles anharmonic phonon calculations is presented.