Direct observation of local antiferroelectricity induced phonon softening at a SrTiO3 defect

TL;DR

This study directly observes how local antiferroelectricity at defects in SrTiO3 causes phonon mode softening, revealing defect-induced lattice dynamics crucial for oxide applications.

Contribution

It provides the first atomic-scale measurement of defect phonon modes in SrTiO3 and links local structural distortions to phonon softening and antiferroelectricity.

Findings

Defect phonon modes are absent in bulk SrTiO3.

Local antiferroelectricity softens optical phonon modes.

Structural distortions induce local electric dipoles.

Abstract

Defects in oxides usually exhibit exotic properties that may be associated with the local lattice dynamics. Here, at atomic spatial resolution, we directly measure phonon modes of an antiphase boundary (APB) in SrTiO3 freestanding membrane and correlate them with the picometer-level structural distortion. We find that the SrTiO3 APB introduces new defect phonon modes that are absent in bulk SrTiO3. These modes are highly sensitive to the subtle structure distortion, i.e., the SrTiO3 APB generates the local electric dipoles forming an antiferroelectric configuration, which significantly softens the transverse optical (TO) and longitudinal optical (LO) modes at {\Gamma} point. Correlating the local phonons with the subtle structural distortion, our findings provide valuable insights into understanding the defect properties in complex oxides and essential information for their applications such as thermoelectric devices.