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

作     者：Dennis P.Trujillo Ashok Gurung Jiacheng Yu Sanjeev K.Nayak S.Pamir Alpay Pierre-Eymeric Janolin 

作者机构：Department of Materials Science and Engineering and Institute of Materials ScienceUniversity of ConnecticutStorrsCT06269USA X-Ray Science DivisionArgonne National LaboratoryLemontIL60439USA Department of PhysicsUniversity of ConnecticutStorrsCT06269USA UniversitéParis-SaclayCentraleSupélecCNRSLaboratoire SPMS91190Gif-sur-YvetteFrance 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2022年第8卷第1期

页      面：2393-2399页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：Authors A.G.,S.K.N.,and S.P.A.thank the Air Force Research Laboratory,Materials and Manufacturing Directorate(AFRL/RXMS)for support via Contract No.FA8650-18-C-5700 J.Y.and P.E.J.have been supported by the ANR-19-ASTR-0024-01 and ANR-20-CE08-0012-1 grants 

主　　题：strict piezoelectric exceeding 

摘      要：All dielectrics exhibit electrostriction,i.e.,display a quadratic strain response to an electric field compared to the linear strain dependence of *** 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 *** 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 *** corresponding effective piezoelectric voltage coefficients are three orders of magnitude larger than lead zirconate titanate.