First principles phonon calculations in materials scienceAtsushi Togo, Isao Tanaka|Scripta Materialia|2015Cited by 11.2k
First-principles calculations of the ferroelastic transition between rutile-type and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>CaCl</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>-type<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>SiO</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>at high pressuresAtsushi Togo, Isao Tanaka, Fumiyasu Oba|Physical Review B|2008Cited by 5.4k
First-principles Phonon Calculations with Phonopy and Phono3pyAtsushi Togo|Journal of the Physical Society of Japan|2022Cited by 1.5k
Distributions of phonon lifetimes in Brillouin zonesAtsushi Togo, Isao Tanaka, Laurent Chaput|Physical Review B|2015Cited by 1.5k
Defect energetics in ZnO: A hybrid Hartree-Fock density functional studyFumiyasu Oba, Georg Kresse, Atsushi Togo et al.|Physical Review B|2008Cited by 730