FIRST-PRINCIPLES CALCULATIONS OF FLEXOELECTRIC COEFFICIENTS IN PEROVSKITE OXIDE SUPERLATTICES

Shuqi Li, Yida Yang*, Jiawang Hong*

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Discovering dielectric materials with large flexoelectric coefficients is key to advancing electromechanical devices. Using first-principles calculations, we determine the longitudinal and transverse flexoelectric coefficients of perovskite superlattice materials composed of ATiO3 (A=Pb, Ba, Sr). Our results show that the longitudinal flexoelectric coefficients of these superlattices are approximately four times larger than those of their parent bulk materials, respectively. This enhancement in the flexoelectric effect is attributed to charge transfer and interfacial interactions, which strongly influences the polarization in perovskite superlattice systems. These results can provide a guidance for searching for composite materials with large flexoelectric coefficients.

Original languageEnglish
Title of host publicationProceedings of the 2024 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2024
EditorsHongwei Ma, Yu Zheng, Xueqian Fang
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages261-265
Number of pages5
ISBN (Electronic)9798331523732
DOIs
Publication statusPublished - 2024
Event18th Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2024 - Dongguan, China
Duration: 8 Nov 202411 Nov 2024

Publication series

NameProceedings of the 2024 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2024

Conference

Conference18th Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2024
Country/TerritoryChina
CityDongguan
Period8/11/2411/11/24

Keywords

  • First-principles calculations
  • Flexoelectricity
  • Perovskite oxide superlattices

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