Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations T Tadano, Y Gohda, S Tsuneyuki Journal of Physics: Condensed Matter 26 (22), 225402, 2014 | 545 | 2014 |
Self-consistent phonon calculations of lattice dynamical properties in cubic with first-principles anharmonic force constants T Tadano, S Tsuneyuki Physical Review B 92 (5), 054301, 2015 | 451 | 2015 |
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride I Errea, F Belli, L Monacelli, A Sanna, T Koretsune, T Tadano, R Bianco, ... Nature 578 (7793), 66-69, 2020 | 274 | 2020 |
Implementation strategies in phonopy and phono3py A Togo, L Chaput, T Tadano, I Tanaka Journal of Physics: Condensed Matter 35 (35), 353001, 2023 | 258 | 2023 |
Impact of rattlers on thermal conductivity of a thermoelectric clathrate: a first-principles study T Tadano, Y Gohda, S Tsuneyuki Physical review letters 114 (9), 095501, 2015 | 237 | 2015 |
Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor Y Nomura, M Hirayama, T Tadano, Y Yoshimoto, K Nakamura, R Arita Physical review B 100 (20), 205138, 2019 | 222 | 2019 |
Quartic anharmonicity of rattlers and its effect on lattice thermal conductivity of clathrates from first principles T Tadano, S Tsuneyuki Physical review letters 120 (10), 105901, 2018 | 169 | 2018 |
Effect of Van Hove singularities on high- superconductivity in W Sano, T Koretsune, T Tadano, R Akashi, R Arita Physical Review B 93 (9), 094525, 2016 | 153 | 2016 |
First-principles lattice dynamics method for strongly anharmonic crystals T Tadano, S Tsuneyuki Journal of the Physical Society of Japan 87 (4), 041015, 2018 | 136 | 2018 |
First-principles study of phonon anharmonicity and negative thermal expansion in Y Oba, T Tadano, R Akashi, S Tsuneyuki Physical Review Materials 3 (3), 033601, 2019 | 103 | 2019 |
Materials design of dynamically stable layered nickelates M Hirayama, T Tadano, Y Nomura, R Arita Physical Review B 101 (7), 075107, 2020 | 71 | 2020 |
RESPACK: An ab initio tool for derivation of effective low-energy model of material K Nakamura, Y Yoshimoto, Y Nomura, T Tadano, M Kawamura, T Kosugi, ... Computer Physics Communications 261, 107781, 2021 | 69 | 2021 |
Exploring diamondlike lattice thermal conductivity crystals via feature-based transfer learning S Ju, R Yoshida, C Liu, S Wu, K Hongo, T Tadano, J Shiomi Physical Review Materials 5 (5), 053801, 2021 | 52 | 2021 |
Empirical interatomic potentials optimized for phonon properties A Rohskopf, HR Seyf, K Gordiz, T Tadano, A Henry npj Computational Materials 3 (1), 27, 2017 | 50 | 2017 |
Luminescence fine structures in single lead halide perovskite nanocrystals: size dependence of the exciton–phonon coupling K Cho, T Yamada, H Tahara, T Tadano, H Suzuura, M Saruyama, R Sato, ... Nano Letters 21 (17), 7206-7212, 2021 | 48 | 2021 |
First-principles phonon quasiparticle theory applied to a strongly anharmonic halide perovskite T Tadano, WA Saidi Physical Review Letters 129 (18), 185901, 2022 | 45 | 2022 |
Anharmonicity Explains Temperature Renormalization Effects of the Band Gap in SrTiO3 YN Wu, WA Saidi, JK Wuenschell, T Tadano, P Ohodnicki, B Chorpening, ... The Journal of Physical Chemistry Letters 11 (7), 2518-2523, 2020 | 45 | 2020 |
Interfacial embedding for high‐efficiency and stable methylammonium‐free perovskite solar cells with fluoroarene hydrazine DB Khadka, Y Shirai, M Yanagida, T Tadano, K Miyano Advanced Energy Materials 12 (38), 2202029, 2022 | 42 | 2022 |
Terahertz electric-field-driven dynamical multiferroicity in SrTiO3 M Basini, M Pancaldi, B Wehinger, M Udina, V Unikandanunni, T Tadano, ... Nature, 1-6, 2024 | 30 | 2024 |
Ab initio prediction of structural phase-transition temperature of SrTiO3 from finite-temperature phonon calculation T Tadano, S Tsuneyuki Journal of the Ceramic Society of Japan 127 (6), 404-408, 2019 | 29 | 2019 |