科研之友
微信
新浪微博
Facebook
分享链接
摘要
Atomistic structures of Ba1-xSrxTiO3 (x <= 0.5) determined by molecular-dynamics simulations are compared with five types of experimental structural data and with the results of multiple-technique Reverse Monte Carlo refinements. The simulations and experimental studies agree on many fundamental aspects of the local atomic displacements; in some cases, this agreement is quantitative, in others only semi-quantitative. Key local-structure characteristics of the solid solutions are identified along with a possible mechanism of dielectric relaxation.
- 出版日期2013-7-8
