Onset of ferrielectricity and the hidden nature of nanoscale polarization in ferroelectric thin films.
Using calculations from first principles and the concept of layer polarization, we have elucidated the nanoscale organization and local polarization in ferroelectric thin films between metallic contacts. The profile of the local polarization for different film thicknesses unveils a peculiar spatial pattern of atomic layers with uncompensated dipoles in what was originally thought to be a ferroelectric domain. This effectively ferrielectric behavior is induced by the dominant roles of the interfaces at such reduced dimensionality and can be interpreted using a simple classical model where the latter are explicitly taken into account.
Center for High Performance Simulation and Department Physics, North Carolina State University, Raleigh, North Carolina 27695, USA.
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Buongiorno Nardelli