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偏二氟乙烯和氮化硼基聚合物中极化和压电性的从头算研究。

Ab initio studies of polarization and piezoelectricity in vinylidene fluoride and BN-based polymers.

作者信息

Nakhmanson S M, Nardelli M Buongiorno, Bernholc J

机构信息

Department of Physics, North Carolina State University, Raleigh, North Carolina 27695, USA.

出版信息

Phys Rev Lett. 2004 Mar 19;92(11):115504. doi: 10.1103/PhysRevLett.92.115504. Epub 2004 Mar 18.

DOI:10.1103/PhysRevLett.92.115504
PMID:15089148
Abstract

Highly piezoelectric and pyroelectric phases of boron-nitrogen-based polymers have been designed from first principles. They offer excellent electrical and structural properties, with up to 100% improvement in the piezoelectic response and an enhanced thermal stability with respect to polyvinylidene fluoride (PVDF). Since methods for their synthesis are readily available, these polymers are extremely promising for numerous technological applications, rivaling the properties of ferroelectric ceramics and superseding PVDF-based materials in high-performance devices.

摘要

基于硼氮的聚合物的高压电和热释电相已从第一性原理进行了设计。它们具有优异的电学和结构性能,压电响应提高了100%,相对于聚偏二氟乙烯(PVDF)热稳定性增强。由于其合成方法易于获得,这些聚合物在众多技术应用中极具前景,可与铁电陶瓷的性能相媲美,并在高性能器件中取代基于PVDF的材料。

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