Size of Defect Clusters in Lithium Niobate Single Crystals

作     者：He Xiangke Xue Dongfeng 

作者机构：State Key Laboratory of Fine Chemicals Department of Materials Science and Chemical Engineering School of Chemical Engineering Dalian University of Technology Dalian 116012 China Key Laboratory for Micro/Nano Technology and System of Liaoning Province Dalian University of Technology Dalian 116023 China State Key Laboratory of Fine Chemicals Department of Materials Science and Chemical Engineering Key Laboratory for Micro/Nano Technology and System of Liaoning Province Dalian University of Technology Dalian 116023 China 

出 版 物：《Journal of Rare Earths》 (稀土学报（英文版）)

年 卷 期：2006年第24卷第z1期

页      面：253-256页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0702[理学-物理学] 

基　　金：Project supported by the National Natural Science Foundation of China (20471012)  Foundation for the Author of National Excellent Doctoral Dissertation of China (200322)  the Research Fund for the Doctoral Program of Higher Education (20040141004) and the Scientific Research Foundation for the Returned Overseas Chinese Scholars  State Education Ministry 

主　　题：lithium niobate defect cluster defect size bond valence model 

摘      要：On the basis of the Li-site vacancy model, the non-stoichiometric defects in LN crystals, i.e., anti-site defects NbLi and corresponding lithium vacancy defects VLi, were investigated by the bond valence model. According to the valence sum rule, 4 VLi sites must emerge in the nearest lattices of NbLi, and thus form a neutral cluster with the center, NbLi(VLi)4Nb5O15. The bond graph of the defect cluster was given, which reveals the ideal chemical bonding characteristics of defect clusters. Combining the possible configuration of defect clusters and the ideal bond lengths in the bond graph, the size of defect clusters in the LN crystallographic frame is estimated as 0.9～1.2 nm in diameter.