MRM2023/IUMRS-ICA2023 [DEMO]

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Poster Session

F. Functional & Structural » [F-1] Future prospect of DX-driven development in structural materials

[F1-P204] Poster 204

Tue. Dec 12, 2023 6:30 PM - 8:30 PM Poster (Annex)

[F1-P204-34] Mechanism of Negative Thermal Expansion in Monoclinic Cu2P2O7: A First-Principles Lattice-Dynamics Study

*Kaede Nagamatsu1, Yasuhide Mochizuki1, Hiroki Koiso1, Toshihiro Isobe1, Akira Nakajima1 (1. Tokyo Inst. of Tech. (Japan))

Keywords:Negative Thermal Expansion, Phonon, Grüneisen Parameter, First-Principles Calculation

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