期刊
PHYSICAL REVIEW B
卷 80, 期 6, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.060102
关键词
density functional theory; dielectric polarisation; electric domain walls; ferroelectric materials; ferroelectric thin films; lead compounds; lithium compounds; molecular dynamics method; nanostructured materials
资金
- National Science Foundation [DMR-0820404, DMR-0507146, DMR-0908718, DMR-0602986]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [908718] Funding Source: National Science Foundation
Ferroelectric 180 degrees domain walls are well-known to be predominantly Ising-like. Using density functional theory, and molecular dynamics simulations, the 180 degrees domain walls in prototypical ferroelectrics lead titanate (PbTiO3) and lithium niobate (LiNbO3) are shown to have mixed character; while predominantly Ising-like, they also manifest some Bloch- and Neacuteel-like character. Phase-field calculations show that such mixed wall character can be dramatically enhanced in nanoscale thin film heterostructures such as BaTiO3/SrTiO3, where the internal wall structure can form polarization vortices. Such mixed character walls can be expected to exhibit dynamical wall properties distinct from pure Ising walls.
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