Piezoelectricity in n = 2 Ruddlesden-Popper Ferroelectric Oxides

Kishwar E. Hasin, Nabaraj Pokhrel, Elizabeth A. Nowadnick

Research output: Contribution to journalArticlepeer-review

Abstract

We present first-principles calculations of piezoelectric tensors for the n = 2 Ruddlesden-Popper ferroelectrics Ca3Ti2O7, Sr3Zr2O7, Sr3Sn2O7, and Li2SrNb2O7. Our computed longitudinal piezoelectric coefficients are comparable to the intrinsic coefficients of prototypical perovskite ferroelectrics. We identify an unusual form of transverse piezoelectricity in Ca3Ti2O7 and Li2SrNb2O7, where one transverse piezoelectric coefficient is negative and the other is positive. Furthermore, we show that octahedral rotation distortions, which are coupled to the polarization in this family of layered ferroelectrics, can tune the amplitudes of the piezoelectric coefficients.

Original languageEnglish
JournalChemistry of Materials
DOIs
StateAccepted/In press - 2024
Externally publishedYes

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