Local Atomic Configuration in Pristine and A-Site Doped Silver Niobate Perovskite Antiferroelectrics  

作　　者：Jing Gao Wei Li Jue Liu Qian Li Jing-Feng Li 

机构地区：[1]State Key Laboratory of New Ceramis and Fine Processing School of Materials Science and Engineering,Tsinghua University,Beijing 10084,China [2]Neutron Scattering Division,Onk Ridge National Laboratory,Oak Ridge,Tenessee 37831,USA

出　　处：《Research》2022年第2期203-212,共10页研究（英文）

基　　金：supported by the Basic Science Center Project of NSFC under.Grant,No.51788104,NSFC under_Grant_No.52073155,and Tsinghua-Foshan Innovation Special Fund(TFISF)under Grant No.2020THFS0113;Research conducted at the NOMAD beamlines at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division,Office of Basic Sciences,U.S.Department of Energy.

摘　　要：Antiferroelectrics have attracted increasing research interests in recent years due to both their great potential in energy storage applications and intriguing structural characteristics.However,the links between the electrical properties and structural characteristics of distorted perovskite antiferroelectrics are yet to be fully deciphered.Here,we adopt local-structure methods to elucidate the nanoscale atomic structure of AgNbO,-based antiferroelectrics and their structural evolution upon La doping.The local structural features including interatomic distance distributions and atomic displacements have been analyzed using neutron small-box pair distribution function(PDF)refinement in conjunction with large-box Reverse Monte Carlo modelling.Our results highlight the correlation of cation displacements in AgNbo,and its disruption by the incorporation of La,apparently in corroboration with the observed anomalous dielectric properties.Spatial ordering of cation vacancies is observed in La-doped AgNbo,samples,which coordinates with oxygen octahedral tilting to relieve lattice strain.These results provide renewed insights into the atomic structure and antiferroelectric phase instabilities of AgNbO,and relevant perovskite materials,further lending versatile opportunities for enhancing their functionalities.

关 键 词：properties. PEROVSKITE CONFIGURATION 

分 类 号：O61[理学—无机化学]