Semi-empirical estimation for enhancing negative thermal expansion in PbTiO_(3)-based perovskites  

作　　者：Tao Yang Longlong Fan Yilin Wang Kun Lin Jun Chen Xianran Xing 

机构地区：[1]Beijing Advanced Innovation Center for Materials Genome Engineering,Institute of Solid State Chemistry,Department of Physical Chemistry,University of Science and Technology Beijing,Beijing 100083,China [2]College of Physics and Materials Science,Tianjin Normal University,Tianjin 300387,China [3]Institute of Advanced Materials,Jiangsu National Synergetic Innovation Center for Advanced Materials,Nanjing Tech University,Nanjing 211816,China

出　　处：《International Journal of Minerals,Metallurgy and Materials》2022年第4期783-786,共4页矿物冶金与材料学报（英文版）

基　　金：financially supported by the National Key R&D Program of China(No.2020YFA0406202);the National Natural Science Foundation of China(Nos.22090042 and 21731001)。

摘　　要：Generally,most materials expand when heated and contract when cooled,whereas negative thermal expansion(NTE)materials are very rare.As a typical NTE material,PbTiO_(3) and related compounds have drawn particular interest in recent years.The discovery of an enhanced NTE system in PbTiO_(3) is beneficial to deepen our understanding of its mechanism and regulate its properties.At present,the method of discriminating an enhanced NTE material based on PbTiO_(3) is not universal.Here,we propose a semi-empirical method through evaluating the average lattice distortion in related systems to estimate the relative coefficient of thermal expansion conveniently.The rationality of the method was verified by the analysis of the 0.6PbTiO_(3)-0.4Bi(Ga_(x)Fe_(1-x))O_(3) system.So far,all PbTiO_(3)-based compounds with enhanced NTE conform well to this method.This method provides the possibility to find more enhanced NTE PbTiO_(3)-based materials.

关 键 词：enhanced negative thermal expansion crystal structure lead titanate spontaneous polarization 

分 类 号：TB34[一般工业技术—材料科学与工程]