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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
91072015
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
52562008
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
14512008
Distributions of phonon lifetimes in Brillouin zones
A Togo, L Chaput, I Tanaka
Physical review B 91 (9), 094306, 2015
12732015
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
7522000
Band structure diagram paths based on crystallography
Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka
Computational Materials Science 128, 140-184, 2017
6532017
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
5742010
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
5112001
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
4982011
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
4742015
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
4642003
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
4092007
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
4082011
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
3782016
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
3502006
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
3182006
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
3152014
Spglib: a software library for crystal symmetry search
A Togo, I Tanaka
arXiv preprint arXiv:1808.01590 5, 2018
3082018
Lithium iron borates as high‐capacity battery electrodes
A Yamada, N Iwane, Y Harada, S Nishimura, Y Koyama, I Tanaka
Advanced Materials 32 (22), 3583-3587, 2010
2982010
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
2962017
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