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Isao Tanaka
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First principles phonon calculations in materials science
A Togo, I Tanaka
Scripta Materialia 108, 1-5, 2015
101102015
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
55172008
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
14672008
Distributions of phonon lifetimes in Brillouin zones
A Togo, L Chaput, I Tanaka
Physical review B 91 (9), 094306, 2015
14112015
Mechanism of electrical conductivity of transparent InGaZnO 4
M Orita, H Tanji, M Mizuno, H Adachi, I Tanaka
Physical Review B 61 (3), 1811, 2000
7542000
Band structure diagram paths based on crystallography
Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka
Computational Materials Science 128, 140-184, 2017
7482017
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
6212010
Implementation strategies in phonopy and phono3py
A Togo, L Chaput, T Tadano, I Tanaka
Journal of Physics: Condensed Matter 35 (35), 353001, 2023
6192023
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
5462011
Energetics of native defects in ZnO
F Oba, SR Nishitani, S Isotani, H Adachi, I Tanaka
Journal of Applied Physics 90 (2), 824-828, 2001
5162001
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
4972015
Crystal and electronic structures of superstructural Li1− x [Co1/3Ni1/3Mn1/3] O2 (0≤ x≤ 1)
Y Koyama, I Tanaka, H Adachi, Y Makimura, T Ohzuku
Journal of Power Sources 119, 644-648, 2003
4682003
Structures and energetics of Ga2O3 polymorphs
S Yoshioka, H Hayashi, A Kuwabara, F Oba, K Matsunaga, I Tanaka
Journal of Physics: Condensed Matter 19 (34), 346211, 2007
4452007
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
4252011
Prediction model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniques
J Lee, A Seko, K Shitara, K Nakayama, I Tanaka
Physical Review B 93 (11), 115104, 2016
3962016
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
3652024
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
3592006
Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations
T Tohei, A Kuwabara, F Oba, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 73 (6), 064304, 2006
3332006
Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single-and binary-component solids
A Seko, T Maekawa, K Tsuda, I Tanaka
Physical Review B 89 (5), 054303, 2014
3312014
Representation of compounds for machine-learning prediction of physical properties
A Seko, H Hayashi, K Nakayama, A Takahashi, I Tanaka
Physical Review B 95 (14), 144110, 2017
3272017
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