Keyword: Phonon calculation
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4 records found.

251204 Ammmonia ACS OMEGA+SI 10(2025)57684-57691.pdf
Mechanism of Solid Ammonia Stabilization at Ambient Temperature: Insights from Thermodynamics, Phonon Calculation, and Micromechanics
Journal article
Creator
Masao Morishita (author) (Search by this author)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI ; ORCID SAMURAI
Keyword
Solid state ammonia, Phase stability, Thermodynanmics, Phonon calculation, Micromechanics, Hydrogen storage material
Date published
2025-12-02
Updated at
2025-12-05 16:30:15 +0900
Togo_2023_J._Phys.__Condens._Matter_35_353001.pdf
Implementation strategies in phonopy and phono3py
Journal article
Creator
Atsushi Togo (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Laurent Chaput (author) (Search by this author)
;
Terumasa Tadano (author) (Search by this author)
National Institute for Materials Science
ORCID SAMURAI ;
Isao Tanaka (author) (Search by this author)
Keyword
Phonon calculation
Date published
2023-09-04
Updated at
2024-01-05 22:11:26 +0900
Togo_2022_J._Phys.__Condens._Matter_34_365401.pdf
LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations
Journal article
Creator
Atsushi Togo (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
ORCID SAMURAI ;
Hiroyuki Hayashi (author) (Search by this author)
Kyoto University
;
Terumasa Tadano (author) (Search by this author)
Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
ORCID SAMURAI ;
Satoshi Tsutsui (author) (Search by this author)
Japan Synchrotron Radiation Research Institute
;
Isao Tanaka (author) (Search by this author)
Kyoto University
Keyword
Phonon calculation, IXS measurment
Date published
2022-09-07
Updated at
2024-01-05 22:12:13 +0900
jpsj.92.012001.pdf
First-principles phonon calculations with phonopy and phono3py
Journal article
Creator
Atsushi Togo (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
ORCID SAMURAI
Keyword
Phonon calculation
Date published
2023-01-15
Updated at
2024-01-05 22:12:03 +0900