1.5k citations
- Kyoto UniversityJP39 papers
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- Centre National de la Recherche ScientifiqueFR4 papers
- National Institute of Advanced Industrial Science and TechnologyJP4 papers
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Showing 2023Show all
3 papers · 1 filter
cond-mat.mtrl-sci2023★ 15 cited
Algorithm for spin symmetry operation search
Kohei Shinohara, Atsushi Togo, Hikaru Watanabe +3
A spin space group provides a suitable way to fully exploit the symmetry of a spin arrangement with a negligible spin-orbit coupling. There has been a growing interest in applying…
cond-mat.mtrl-sci2023★ 69 cited
Lattice dynamics and ferroelectric properties of the nitride perovskite
Yue-Wen Fang, Craig A. J. Fisher, Akihide Kuwabara +5
Using first-principles calculations we examine the crystal structures and phase transitions of nitride perovskite LaWN. Lattice dynamics calculations indicate that the ground-s…
cond-mat.mtrl-sci2023★ 1.3k cited
Implementation strategies in phonopy and phono3py
Atsushi Togo, Laurent Chaput, Terumasa Tadano +1
Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software projects, from anywhere, remotely via the in…