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| 書誌情報 | ファイル |
|---|---|
| Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization Seko, Atsuto; Togo, Atsushi; Hayashi, Hiroyuki; Tsuda, Koji; Chaput, Laurent; Tanaka, Isao (2015-11) Physical Review Letters, 115(20) |  |
| First principles phonon calculations in materials science Togo, Atsushi; Tanaka, Isao (2015-11) Scripta Materialia, 108: 1-5 | |
| Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors Shibuya, Taizo; Skelton, Jonathan M.; Jackson, Adam J.; Yasuoka, Kenji; Togo, Atsushi; Tanaka, Isao; Walsh, Aron (2016-10) APL Materials, 4(10) | |
| Transition pathway of CO2 crystals under high pressures Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao (2008) PHYSICAL REVIEW B, 77(18) | |
| Defect energetics in ZnO: A hybrid Hartree-Fock density functional study Oba, Fumiyasu; Togo, Atsushi; Tanaka, Isao; Paier, Joachim; Kresse, Georg (2008) PHYSICAL REVIEW B, 77(24) | |
| First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao (2008) PHYSICAL REVIEW B, 78(13) | |
| Structure and stability of a homologous series of tin oxides Seko, Atsuto; Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao (2008) PHYSICAL REVIEW LETTERS, 100(4) | |
| First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao (2008-10) PHYSICAL REVIEW B, 78(13) | |
| Transition pathway of CO2 crystals under high pressures Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao (2008-05) PHYSICAL REVIEW B, 77(18) | |
| First-principles phonon calculations of thermal expansion in Ti3SiC2, Ti3AlC2, and Ti3GeC2 Togo, Atsushi; Chaput, Laurent; Tanaka, Isao; Hug, Gilles (2010) PHYSICAL REVIEW B, 81(17) | |
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