Art

J-GLOBAL ID：201402200959628727   Reference number：14A0449009

Solid-state calculations of poly(vinylidene fluoride) using the hybrid DFT method: spontaneous polarization of polymorphs

ハイブリッドDFT法を用いるポリフッ化ビニリデン固体の計算 : 多形の自発分極

Author (4)： ITOH Akira (Tokyo Univ. Sci., Tokyo, JPN) ,  TAKAHASHI Yoshiyuki (Tokyo Univ. Sci., Tokyo, JPN) ,  FURUKAWA Takeo (Tokyo Univ. Sci., Tokyo, JPN) ,  YAJIMA Hirofumi (Tokyo Univ. Sci., Tokyo, JPN)
Material： Polymer Journal
Volume： 46  Issue： 4  Page： 207-211  Publication year： Apr. 2014 
JST Material Number： F0612A  ISSN： 0032-3896  CODEN： POLJB8  Document type： Article
Article type： 原著論文  Country of issue： Germany, Federal Republic of (DEU)  Language： ENGLISH (EN)

Thesaurus term： *polyvinylidene fluoride ,  *density functional method ,  *spontaneous polarization ,  *polymorphism ,  molecular structure ,  pseudopotential method ,  *gradient method ,  *electronic state ,  lattice constant ,  energy ,  exchange interaction ,  phonon dispersion ,  Raman spectrum ,  X-ray photoelectron spectrum ,  X-ray photoelectron spectroscopy ,  Fourier spectroscopy ,  Raman spectroscopy ,  ferroelectrics ,  crystalline polymer ,  crystal structure ,  Computer Simulation ,  application program ,  frequency ,  vibrational spectroscopy ,  band structure ,  computer application ,  utilization
Semi thesaurus term： *DFT calculation ,  FT-Raman spectroscopy ,  *generalized gradient approximation ,  exchange energy

JST classification (2)： Structure and morphology of polymer solids  (CG02022M) ,  Physical properties of polymer solids  (CG02024U)

Reference (33)：

• Furukawa, T. Ferroelectric properties of vinylidene fluoride copolymers. Phase Transitions 18, 143-211 (1989).
• Nakajima, T., Takahashi, Y., Okamura, S. & Furukawa, T. Nanosecond switching characteristics of ferroelectric ultrathin vinylidene fluoride/trifluoroethylene copolymer films under extremely high electric field. Jpn J. Appl. Phys. 9, 09KE04 (2009).
• Ishii, H., Nakajima, T., Furukawa, T. & Okamura, S. Polarization switching dynamics of vinylidene fluoride/trifluoroethylene copolymer thin films under high electric field at various temperatures. Jpn. J. Appl. Phys. 52, 041603 (2013).
• Nakamura, K., Nagai, M., Kanamoto, T., Takahashi, Y. & Furukawa, T. Development of Oriented Structure and Properties on Drawing of Poly(vinylidene fluoride) by Solid-State Coextrusion. J. Polym. Sci., Part B: Polym. Phys. 39, 1371-1380 (2001).
• Kakutani, H. Dielectric absorption in oriented poly(vinylidene fluoride). J. Polym. Part A-2 8, 1177-1186 (1970).

Terms in the title (6)： DFT ,  ポリフッ化ビニリデン ,  固体 ,  計算 ,  多形 ,  自発分極