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

Abstract

Quantum electronic transport across a $$\upbeta $$ β -poly(vinylidene fluoride) ( $$\upbeta $$ β -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.