Data-driven methods for discovery of next-generation electrostrictive materials

Dennis Trujillo (1, 2) , Ashok Gurung (3) , Jiacheng Yu (4) , Sanjeev Nayak (1) , S. Pamir Alpay (1) , Pierre-Eymeric Janolin (4)

1 Department of Materials Science & Engineering and Institute of Materials Sciences
2 XSD - X-ray Science Division
3 UCONN - University of Connecticut
4 SPMS - Laboratoire Structures, Propriétés et Modélisation des solides

All dielectrics exhibit electrostriction, i.e., display a quadratic strain response to an electric field compared to the linear strain dependence of piezoelectrics. As such, there is significant interest in discovering new electrostrictors with enhanced electrostrictive coefficients, especially as electrostrictors can exhibit effective piezoelectricity when a bias electric field is applied. We present the results of a study combining data mining and first-principles computations that indicate that there exists a group of iodides, bromides, and chlorides that have electrostrictive coefficients exceeding 10 m 4 C –2 which are substantially higher than typical oxide electrostrictive ceramics and polymers. The corresponding effective piezoelectric voltage coefficients are three orders of magnitude larger than lead zirconate titanate.

Domains: Physics [physics]

Dennis Trujillo, Ashok Gurung, Jiacheng Yu, Sanjeev Nayak, S. Pamir Alpay, et al.. Data-driven methods for discovery of next-generation electrostrictive materials. npj Computational Materials, 2022, 8 (1), pp.251. ⟨10.1038/s41524-022-00941-1⟩. ⟨hal-03903429⟩