First principles phonon calculations in materials science A Togo, I Tanaka
Scripta Materialia 108, 1-5, 2015
8047 2015 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
4985 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 77 (24), 245202, 2008
1432 2008 Distributions of phonon lifetimes in Brillouin zones A Togo, L Chaput, I Tanaka
Physical review B 91 (9), 094306, 2015
1143 2015 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
528 2010 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
442 2015 Phonon-phonon interactions in transition metals L Chaput, A Togo, I Tanaka, G Hug
Physical Review B 84 (9), 094302, 2011
435 2011 Point defects in ZnO: an approach from first principles F Oba, M Choi, A Togo, I Tanaka
Science and Technology of Advanced Materials, 2011
394 2011 First-principles calculations of native defects in tin monoxide A Togo, F Oba, I Tanaka, K Tatsumi
Physical Review B 74 (19), 195128, 2006
334 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
254 2014 Spglib: a software library for crystal symmetry search A Togo, I Tanaka
arXiv preprint arXiv:1808.01590 5, 2018
208 2018 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
185 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
179 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
175 2008 First-principles phonon calculations with phonopy and phono3py A Togo
Journal of the Physical Society of Japan 92 (1), 012001, 2023
126 2023 DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations A Carreras, A Togo, I Tanaka
Computer Physics Communications 221, 221-234, 2017
120 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
96 2015 Evolution of crystal structures in metallic elements A Togo, I Tanaka
Physical Review B 87 (18), 184104, 2013
93 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
92 2014 Native defects in oxide semiconductors: a density functional approach F Oba, M Choi, A Togo, A Seko, I Tanaka
Journal of Physics: Condensed Matter 22 (38), 384211, 2010
90 2010 