Spontaneous Polarization and Piezoelectric Tensor of Polyvinylidene Fluoride (PVDF) in ? and ? Phases

Authors

  • Dibya Prakash Rai Physical Sciences Research Center (PSRC), Department of Physics, Pachhunga University College, Aizawl-796001, India

Keywords:

DFT, PVDF, spontaneous polarization, piezoelectric tensor, band structure

Abstract

Combining the first principles density functional theory (DFT) and non-equilibrium Green’s function we have investigated the electronic, dielectric polarization and piezoelectric properties of polyvinylidene fluoride (PVDF) in alpha and beta phases comparatively. PVDF is having a chemical formula ?(C2H2F2)n?. We have also calculated the dynamical charge properties via Born effective charges. We report the finite value of spontaneous polarization 0.914 C/m2 and 0.625 C/m2 for ? and ? Phases, respectively. These results showed that PVDF is a dielectric material with outstanding electrical response to external stimuli. These findings provide some valuable insight in understanding the quantum mechanical responses of ions and electrons in the nanoscale-materials under external applied field which enable the novel possibilities for next-generation energy materials.

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Published

2020-12-29

How to Cite

Rai, D. P. . (2020). Spontaneous Polarization and Piezoelectric Tensor of Polyvinylidene Fluoride (PVDF) in ? and ? Phases. Journal of Advanced Research in Fluid Mechanics and Thermal Sciences, 67(2), 109–115. Retrieved from https://www.akademiabaru.com/submit/index.php/arfmts/article/view/2858

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