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Atsushi Togo
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First principles phonon calculations in materials science
A Togo, I Tanaka
Scripta Materialia 108, 1-5, 2015
86192015
First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2-type SiO 2 at high pressures
A Togo, F Oba, I Tanaka
Physical Review B 78 (13), 134106, 2008
51412008
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
F Oba, A Togo, I Tanaka, J Paier, G Kresse
Physical Review B 77 (24), 245202, 2008
14362008
Distributions of phonon lifetimes in Brillouin zones
A Togo, L Chaput, I Tanaka
Physical review B 91 (9), 094306, 2015
12122015
First-principles phonon calculations of thermal expansion in Ti 3 SiC 2, Ti 3 AlC 2, and Ti 3 GeC 2
A Togo, L Chaput, I Tanaka, G Hug
Physical Review B 81 (17), 174301, 2010
5502010
Phonon-phonon interactions in transition metals
L Chaput, A Togo, I Tanaka, G Hug
Physical Review B 84 (9), 094302, 2011
4722011
Prediction of low-thermal-conductivity compounds with first-principles anharmonic lattice-dynamics calculations and Bayesian optimization
A Seko, A Togo, H Hayashi, K Tsuda, L Chaput, I Tanaka
Physical review letters 115 (20), 205901, 2015
4582015
Point defects in ZnO: an approach from first principles
F Oba, M Choi, A Togo, I Tanaka
Science and Technology of Advanced Materials 12 (3), 034302, 2011
4052011
First-principles calculations of native defects in tin monoxide
A Togo, F Oba, I Tanaka, K Tatsumi
Physical Review B 74 (19), 195128, 2006
3462006
Spglib: a software library for crystal symmetry search
A Togo, I Tanaka
arXiv preprint arXiv:1808.01590 5, 2018
2752018
Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
JM Skelton, SC Parker, A Togo, I Tanaka, A Walsh
Physical Review B 89 (20), 205203, 2014
2612014
First-principles phonon calculations with phonopy and phono3py
A Togo
Journal of the Physical Society of Japan 92 (1), 012001, 2023
2582023
First‐order Raman scattering of the MAX phases: Ti2AlN, Ti2AlC0.5N0.5, Ti2AlC, (Ti0.5V0.5)2AlC, V2AlC, Ti3AlC2, and Ti3GeC2
V Presser, M Naguib, L Chaput, A Togo, G Hug, MW Barsoum
Journal of Raman Spectroscopy 43 (1), 168-172, 2012
1932012
Anharmonicity in the High-Temperature Phase of SnSe: Soft Modes and Three-Phonon Interactions
JM Skelton, LA Burton, SC Parker, A Walsh, CE Kim, A Soon, ...
Physical review letters 117 (7), 075502, 2016
1882016
Structure and stability of a homologous series of tin oxides
A Seko, A Togo, F Oba, I Tanaka
Physical review letters 100 (4), 045702, 2008
1802008
Implementation strategies in phonopy and phono3py
A Togo, L Chaput, T Tadano, I Tanaka
Journal of Physics: Condensed Matter, 2023
1332023
DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations
A Carreras, A Togo, I Tanaka
Computer Physics Communications 221, 221-234, 2017
1332017
Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors
JM Skelton, D Tiana, SC Parker, A Togo, I Tanaka, A Walsh
The Journal of chemical physics 143 (6), 2015
1012015
Evolution of crystal structures in metallic elements
A Togo, I Tanaka
Physical Review B 87 (18), 184104, 2013
972013
High-pressure torsion of titanium at cryogenic and room temperatures: Grain size effect on allotropic phase transformations
K Edalati, T Daio, M Arita, S Lee, Z Horita, A Togo, I Tanaka
Acta materialia 68, 207-213, 2014
942014
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