期刊
ACTA MATERIALIA
卷 61, 期 20, 页码 7591-7603出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2013.08.055
关键词
Dielectric inhomogeneity; Ferroelectric nanoparticle; Phase field method; Ferroelectric phase transitions
资金
- American Academic Exchange Service [2008(3012)]
- National Science Foundation of China [11174030, 51221291, 11202156]
- US National Science Foundation [DMR-1006541]
- National Science Foundation [OCI-0821527]
- Project-Based Personnel Exchange Program of the China Scholarship Council
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1006541] Funding Source: National Science Foundation
An efficient numerical algorithm based on a Fourier spectral iterative perturbation method is proposed to accurately compute the electrostatic fields in three-dimensional (3D) microstructures with arbitrary dielectric inhomogeneity and anisotropy. The method can be conveniently implemented in phase field modeling of microstructure evolution in systems with inhomogeneous dielectric constants as well as inhomogeneous polarization and charge distributions. It is employed to determine the temperature shape (aspect ratio) phase diagram, domain structures, and domain switching of PbTiO3 nanoparticles using phase field simulations. It is shown that the Curie temperature is enhanced for nanowires and nanorods and reduced for nanodots. The critical sizes below which the ferroelectricity disappears for the nanowire and thin film are estimated to be around 1.4 nm. Vortex domain structures are found in nanorods, nanodots, and nanodisks. Results are in general agreement with existing experimental observations and first principle calculations. Crown Copyright (C) 2013 Published by Elsevier Ltd. on behalf of Acta Materialia Inc. All rights reserved.
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