Vibrational properties of ferroelectric β-vinylidene fluoride polymers and oligomers

被引：30

作者：

Nakhmanson, Serge M. ^{[1
]}

Korlacki, R. ^{[2
,3
]}

Johnston, J. Travis ^{[2
,3
]}

Ducharme, Stephen ^{[2
,3
]}

Ge, Zhongxin ^{[3
,4
]}

Takacs, James M. ^{[3
,4
]}

机构：

[1] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA

[2] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA

[3] Univ Nebraska, Nebraska Ctr Mat & Nanosci, Lincoln, NE 68588 USA

[4] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA

来源：

PHYSICAL REVIEW B | 2010年 / 81卷 / 17期

关键词：

DENSITY-FUNCTIONAL THEORY; POLY(VINYLIDENE FLUORIDE); PHASE-TRANSITION; POLYVINYLIDENE FLUORIDE; CRYSTALLINE FORMS; FORCE-CONSTANTS; RAMAN-SPECTRA; SCALE FACTORS; AB-INITIO; TRIFLUOROETHYLENE;

D O I：

10.1103/PhysRevB.81.174120

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We utilize a plane-wave density-functional theory approach to investigate the vibrational properties of the all-trans ferroelectric phase of poly(vinylidenefluoride) (beta-PVDF) showing that its stable state corresponds to the Ama2 structure with ordered dihedral tilting of the VDF monomers along the polymer chains. We then combine our theoretical analysis with IR spectroscopy to examine vibrations in oligomer crystals that are structurally related to the beta-PVDF phase. We demonstrate that these materials-which can be grown in a highly crystalline form-exhibit IR activity similar to that of beta-PVDF, making them an attractive choice for the studies of electroactive phenomena and phase transitions in polymer ferroelectrics.

引用

页数：8

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