Thermal Expansion and Polymorphism of <em>B</em>(III)F<sub>3</sub>: A First-Principles Study

Hiroki Koiso

[F1-P204-33] Thermal Expansion and Polymorphism of B(III)F₃: A First-Principles Study

*Hiroki Koiso¹, Yasuhide Mochizuki¹, Suguru Yoshida², Takayuki Nagai³, Toshihiro Isobe¹, Akira Nakajima¹ (1. Tokyo Inst. of Tech. (Japan), 2. Penn. State Univ. (United States of America), 3. Univ. of Tokyo (Japan))

キーワード：Negative Thermal Expansion, Second-Order Jahn-Teller Effect, Phonon, Grüneisen Parameter, Frist- Principles Lattice-Dynamics Calculations

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講演情報

[F1-P204] Poster 204

[F1-P204-33] Thermal Expansion and Polymorphism of B(III)F₃: A First-Principles Study

講演情報

[F1-P204] Poster 204

[F1-P204-33] Thermal Expansion and Polymorphism of B(III)F3: A First-Principles Study

[F1-P204-33] Thermal Expansion and Polymorphism of B(III)F₃: A First-Principles Study