Electric leakage suppression of phase-transforming ferroelectrics with donor impurities

TL;DR

This paper investigates how phase transformations in donor-doped ferroelectric oxides can suppress electrical leakage at high temperatures, combining experimental and theoretical approaches to enhance device performance.

Contribution

It reveals the mechanism of leakage suppression due to phase transformation and introduces a leakage suppression coefficient for designing low-leakage ferroelectrics.

Findings

Symmetry-breaking phase transformations reduce electrical conductivity.

DFT calculations show donor energy levels shift from shallow to deep.

A leakage suppression coefficient explains low leakage at high temperatures.

Abstract

Phase-transforming ferroelectric materials are widely used in energy harvesting and conversion devices. However, the functionality of these devices is significantly impeded by electrical leakage at high temperatures. In this study, we fundamentally study the mechanism of electrical leakage suppression due to phase transformation in a series of donor-doped ferroelectric oxides,Ba0.955Eu0.03Ti(1-x)ZrxO3 with 0<= x<= 0.15. Our experiments clearly demonstrate that the symmetry-breaking phase transformations result in the reduction in electrical conductivity of the donor-doped ferroelectric oxides. The DFT calculation suggests that the donor energy level undergoes a shallow-to-deep transition at the phase transformation temperature. By analyzing the constitutive model of the leakage current density function, we propose a leakage suppression coefficient that rationalizes the development of ferroelectrics with low electrical leakage at elevated temperatures.