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Electronic transport across a layered structure of Fe/\(\upbeta \)-poly vinylidene fluoride/Fe using DFT calculations

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Abstract

Quantum electronic transport across a \(\upbeta \)-poly(vinylidene fluoride) (\(\upbeta \)-PVDF) ferroelectric barrier structured between two ferromagnetic Fe layers is explored using DFT calculations. The multifunctional junction is organized in capacitor like structure, as FM (ferromagnetic metal)/FE (ferroelectric)/FM to understand the mechanism of electron transfer by controlling the spin polarization of the electrodes and also the ferroelectric polarization of the barrier. These studies are carried on a single bcc layer of Fe atoms in both the electrodes and two monomers of PVDF is utilized as a barrier. We investigated the dependence of total density of states (DOS), projected DOS, transmission coefficient and I–V characteristics on applied bias voltage using SIESTA & TRANSIESTA package.

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Acknowledgments

The authors wish to acknowledge Dr. Sharath Chandra, Dr. Mathi Jaya, IGCAR, Kalpakkam and Dr. S. V. M. Satyanarayana, Pondicherry University for useful discussions.

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  1. Department of Physics, Pondicherry University, R.V. Nagar, Kalapet, Puducherry , 605014, India

    R. B. Gangineni & Manjeet Kumar Bhatia

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Correspondence to R. B. Gangineni.

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Gangineni, R.B., Bhatia, M.K. Electronic transport across a layered structure of Fe/\(\upbeta \)-poly vinylidene fluoride/Fe using DFT calculations. J Comput Electron 13, 613–619 (2014). https://doi.org/10.1007/s10825-014-0578-8

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