First principles phonon calculations in materials science A Togo, I Tanaka Scripta Materialia 108, 1-5, 2015 | 9807 | 2015 |
First-principles calculations of the ferroelastic transition between rutile-type and -type at high pressures A Togo, F Oba, I Tanaka Physical Review B—Condensed Matter and Materials Physics 78 (13), 134106, 2008 | 5455 | 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 | 1465 | 2008 |
Distributions of phonon lifetimes in Brillouin zones A Togo, L Chaput, I Tanaka Physical review B 91 (9), 094306, 2015 | 1372 | 2015 |
First-principles phonon calculations with phonopy and phono3py A Togo Journal of the Physical Society of Japan 92 (1), 012001, 2023 | 662 | 2023 |
First-principles phonon calculations of thermal expansion in , , and A Togo, L Chaput, I Tanaka, G Hug Physical Review B—Condensed Matter and Materials Physics 81 (17), 174301, 2010 | 613 | 2010 |
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 | 532 | 2011 |
Implementation strategies in phonopy and phono3py A Togo, L Chaput, T Tadano, I Tanaka Journal of Physics: Condensed Matter 35 (35), 353001, 2023 | 512 | 2023 |
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 | 489 | 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 | 419 | 2011 |
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 | 354 | 2006 |
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 | 353 | 2024 |
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 | 274 | 2014 |
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 | 219 | 2012 |
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 | 212 | 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 | 187 | 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 | 176 | 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 | 114 | 2015 |
Evolution of crystal structures in metallic elements A Togo, I Tanaka Physical Review B—Condensed Matter and Materials Physics 87 (18), 184104, 2013 | 109 | 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 | 101 | 2014 |