Model of two-dimensional electron gas formation at ferroelectric interfaces

TL;DR

This paper models the formation and control of a two-dimensional electron gas at ferroelectric interfaces, revealing discontinuous charge emergence and potential for non-volatile switching, with implications for electronic device applications.

Contribution

It introduces a simple Landau model predicting electronic reconstruction and charge switching at ferroelectric interfaces, supported by first-principles simulations, highlighting novel discontinuous phenomena.

Findings

Discontinuous emergence of free charge at the interface.

Switching of electron and hole gases via polarization reversal.

Prediction of non-volatile, electric field-controlled charge states.

Abstract

The formation of a two-dimensional electron gas at oxide interfaces as a consequence of polar discontinuities has generated an enormous amount of activity due to the variety of interesting effects it gives rise to. Here we study under what circumstances similar processes can also take place underneath ferroelectric thin films. We use a simple Landau model to demonstrate that in the absence of extrinsic screening mechanisms a monodomain phase can be stabilized in ferroelectric films by means of an electronic reconstruction. Unlike in the LaAlO$_3$/SrTiO$_3$ heterostructure, the emergence with thickness of the free charge at the interface is discontinuous. This prediction is confirmed by performing first principles simulations of free standing slabs of PbTiO$_3$. The model is also used to predict the response of the system to an applied electric field, demonstrating that the two-dimensional electron gas can be switched on and off discontinuously and in a non-volatile fashion. Furthermore, the reversal of the polarization can be used to switch between a two-dimensional electron gas and a two-dimensional hole gas, which should, in principle, have very different transport properties. We discuss the possible formation of polarization domains and how such configuration competes with the spontaneous accumulation of free charge at the interfaces.