期刊
FERROELECTRICS
卷 470, 期 1, 页码 13-27出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00150193.2014.922372
关键词
Ionic radii space; Goldschmidt's tolerance factor; lattice parameter and structure prediction; planar and volume constrained ionic radii model
资金
- U.S. Army Research Laboratory
- U.S. Army Research Office [W911NF-08-1-0353]
A new model describing physical structural constraints for the formation of simple ideal cubic perovskites is introduced and compared with Goldschmidt's tolerance formalism. Through a transformation or mapping into ionic radii space, the structural planar constraints of this new model are compared with the planar constraints of Goldschmidt's formalism, a semi-empirical relationship. The new model indicates: (1) a structural volume instability arises that has consistency with Goldschmidt's tolerance formalism, 0.77 < T < 1.00, for low symmetry crystals; (2) a region of (likely) increased structural stability occurs in close proximity to Goldschmidt's tolerance plane, T = 1.00; and, (3) the possibility for formation of cubic materials far from T = 1.00 including regions outside Goldschmidt's tolerance range, 0.77 < T < 1.05.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据