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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
55282015
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
43522008
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
13912008
Distributions of phonon lifetimes in Brillouin zones
A Togo, L Chaput, I Tanaka
Physical review B 91 (9), 094306, 2015
8262015
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
7432000
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
4962001
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
4322003
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
4192010
Band structure diagram paths based on crystallography
Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka
Computational Materials Science 128, 140-184, 2017
3772017
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
3712015
Point defects in ZnO: an approach from first principles
F Oba, M Choi, A Togo, I Tanaka
Science and Technology of Advanced Materials, 2011
3582011
Phonon-phonon interactions in transition metals
L Chaput, A Togo, I Tanaka, G Hug
Physical Review B 84 (9), 094302, 2011
3252011
First-principles calculations of native defects in tin monoxide
A Togo, F Oba, I Tanaka, K Tatsumi
Physical Review B 74 (19), 195128, 2006
2952006
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
2942007
Lithium iron borates as high‐capacity battery electrodes
A Yamada, N Iwane, Y Harada, S Nishimura, Y Koyama, I Tanaka
Advanced Materials 22 (32), 3583-3587, 2010
2792010
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 73 (6), 064304, 2006
2592006
Interesting physical properties of the new spinel phase of Si 3 N 4 and C 3 N 4
SD Mo, L Ouyang, WY Ching, I Tanaka, Y Koyama, R Riedel
Physical Review Letters 83 (24), 5046, 1999
2571999
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
2522016
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
2372014
Solid-State Chemistry and Electrochemistry of LiCo1/3Ni1/3Mn1/3 O 2 for Advanced Lithium-Ion Batteries: I. First-Principles Calculation on the Crystal and Electronic Structures
Y Koyama, N Yabuuchi, I Tanaka, H Adachi, T Ohzuku
Journal of The Electrochemical Society 151 (10), A1545, 2004
2342004
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