TY - JOUR
T1 - Piezoelectricity in n = 2 Ruddlesden-Popper Ferroelectric Oxides
AU - Hasin, Kishwar E.
AU - Pokhrel, Nabaraj
AU - Nowadnick, Elizabeth A.
N1 - Publisher Copyright:
© 2024 The Authors. Published by American Chemical Society.
PY - 2024
Y1 - 2024
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85200356361&partnerID=8YFLogxK
U2 - 10.1021/acs.chemmater.4c01534
DO - 10.1021/acs.chemmater.4c01534
M3 - Article
AN - SCOPUS:85200356361
SN - 0897-4756
JO - Chemistry of Materials
JF - Chemistry of Materials
ER -