铁电性
钙钛矿(结构)
声子
物理
德拜模型
原子序数
联轴节(管道)
材料科学
凝聚态物理
结晶学
原子物理学
量子力学
化学
电介质
冶金
作者
J. Kong,Sanjeev K. Nayak,Jue Liu,S. P. Alpay,Abhijit Pramanick
出处
期刊:Physical review
日期:2022-07-06
卷期号:106 (2)
标识
DOI:10.1103/physrevb.106.024103
摘要
Despite recent interest in Bi-containing layered-perovskite ferroelectrics due to high ${T}_{c}$, their rational design is constrained by a poor understanding of local atomic structures. Here, we use neutron total scattering and first-principles theory to examine the local atomic structure in Dion-Jacobson layered-perovskite ferroelectric $\mathrm{CsBi}{\mathrm{Nb}}_{2}{\mathrm{O}}_{7}$. We show that the instantaneous short-range atomic structure can be described by a Debye-Einstein model that accommodates atomic motions due to acoustic and low-energy optic phonon modes. We determine structural distortions due to localized atomic dynamics with extremely high resolution. These are in addition to ground-state relative ionic displacements. The magnitude of dynamic variations in ionic positions points toward strong electron-phonon coupling in this material.
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