First principles phonon calculations in materials science A Togo, I Tanaka
Scripta Materialia 108, 1-5, 2015
10050 2015 First-principles calculations of the ferroelastic transition between rutile-type and A Togo, F Oba, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 78 (13), 134106, 2008
5511 2008 Defect energetics in ZnO: A hybrid Hartree-Fock density functional study F Oba, A Togo, I Tanaka, J Paier, G Kresse
Physical Review B—Condensed Matter and Materials Physics 77 (24), 245202, 2008
1466 2008 Distributions of phonon lifetimes in Brillouin zones A Togo, L Chaput, I Tanaka
Physical review B 91 (9), 094306, 2015
1405 2015 First-principles phonon calculations with phonopy and phono3py A Togo
Journal of the Physical Society of Japan 92 (1), 012001, 2023
773 2023 First-principles phonon calculations of thermal expansion in A Togo, L Chaput, I Tanaka, G Hug
Physical Review B—Condensed Matter and Materials Physics 81 (17), 174301, 2010
619 2010 Implementation strategies in phonopy and phono3py A Togo, L Chaput, T Tadano, I Tanaka
Journal of Physics: Condensed Matter 35 (35), 353001, 2023
606 2023 Phonon-phonon interactions in transition metals L Chaput, A Togo, I Tanaka, G Hug
Physical Review B—Condensed Matter and Materials Physics 84 (9), 094302, 2011
542 2011 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
496 2015 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
422 2011 Spglib: a software library for crystal symmetry search A Togo, K Shinohara, I Tanaka
Science and Technology of Advanced Materials: Methods 4 (1), 2384822, 2024
371 2024 First-principles calculations of native defects in tin monoxide A Togo, F Oba, I Tanaka, K Tatsumi
Physical Review B—Condensed Matter and Materials Physics 74 (19), 195128, 2006
358 2006 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
276 2014 First‐order Raman scattering of the MAX phases: Ti2 AlN, Ti2 AlC0.5 N0.5 , Ti2 AlC, (Ti0.5 V0.5 )2 AlC, V2 AlC, Ti3 AlC2 , and Ti3 GeC2 V Presser, M Naguib, L Chaput, A Togo, G Hug, MW Barsoum
Journal of Raman Spectroscopy 43 (1), 168-172, 2012
223 2012 Anharmonicity in the High-Temperature JM Skelton, LA Burton, SC Parker, A Walsh, CE Kim, A Soon, ...
Physical review letters 117 (7), 075502, 2016
214 2016 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
191 2008 DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations A Carreras, A Togo, I Tanaka
Computer Physics Communications 221, 221-234, 2017
187 2017 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
115 2015 Evolution of crystal structures in metallic elements A Togo, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 87 (18), 184104, 2013
110 2013 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
105 2014