Semi-empirical estimation for enhancing negative thermal expansion in PbTiO3-based perovskites

• Published in: International journal of minerals, metallurgy and materials Vol. 29; no. 4; pp. 783 - 786
• Main Authors: Yang, Tao, Fan, Longlong, Wang, Yilin, Lin, Kun, Chen, Jun, Xing, Xianran
• Format: Journal Article
• Language: English
• Published: Beijing University of Science and Technology Beijing 01.04.2022; Springer Nature B.V; Institute of Advanced Materials,Jiangsu National Synergetic Innovation Center for Advanced Materials,Nanjing Tech University,Nanjing 211816,China; Beijing Advanced Innovation Center for Materials Genome Engineering,Institute of Solid State Chemistry,Department of Physical Chemistry,University of Sci-ence and Technology Beijing,Beijing 100083,China%College of Physics and Materials Science,Tianjin Normal University,Tianjin 300387,China%Beijing Advanced Innovation Center for Materials Genome Engineering,Institute of Solid State Chemistry,Department of Physical Chemistry,University of Sci-ence and Technology Beijing,Beijing 100083,China
• Subjects: Brief Communication; Ceramics; Characterization and Evaluation of Materials; Chemistry and Materials Science; Composites; Corrosion and Coatings; Empirical analysis; Ferroelectrics; Glass; Lead titanates; Materials Science; Metallic Materials; Natural Materials; Perovskites; Phase transitions; Surfaces and Interfaces; Thermal expansion; Thin Films; Tribology; spontaneous polarization; crystal structure; enhanced negative thermal expansion; lead titanate
• ISSN: 1674-4799; 1869-103X
• DOI: 10.1007/s12613-021-2390-3

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.