Understanding and designing magnetoelectricheterostructures guided by computation: progresses, remaining questions, and perspectives (磁电异质结构的计算模拟和材料设计：进展、问题和展望)
Jia-Mian Hu, Chun-Gang Duan, Ce-Wen Nan & Long-Qing Chen 
npj Computational Materials 3, Article number: 18 (2017)
doi:10.1038/s41524-017-0020-4
Published online:01 May 2017
Abstract| Full Text | PDF OPEN
摘要：磁电复合材料及异质结集磁性材料和介电材料的特性于一身，更重要的是，多种序参量之间的耦合会产生新的效应，例如，磁性材料中磁性序和介电材料中电极化序相互耦合产生磁电效应，即：磁场能和电场能可以在几乎零电流下实现相互转换，转换量大小决定了效应的强弱。复合材料和异质结中的磁电效应，通常由材料不同组元之间的界面进行磁、电和/或弹性能量的转换而实现，并可通过为每个材料组元选择合适的材料、形状及尺寸、及微结构而进行优化和设计。本文介绍了理论和计算指导下磁电耦合机理及磁电异质结设计两方面的最新进展，并讨论了磁电异质结方面一些有待解决的问题。我们编制了一个相对全面的实验数据集，用以总结块体和薄膜复合材料中的磁电耦合系数，并对磁电复合材料在材料微结构（介观）尺度上的数据驱动的计算设计作了展望。   

Abstract: Magnetoelectric composites and heterostructures integrate magnetic and dielectric materials to produce new functionalities, e.g., magnetoelectric responses that are absent in each of the constituent materials but emerge through the coupling between magnetic order in the magnetic material and electric order in the dielectric material.The magnetoelectric coupling in these composites and heterostructures is typically achieved through the exchange of magnetic, electric, or/and elastic energy across the interfaces between the different constituent materials, and the coupling effect is measured by the degree of conversion between magnetic and electric energy in the absence of an electric current. The strength of magnetoelectric coupling can be tailored by choosing suited materials for each constituent and by geometrical and microstructural designs. In this article, we discuss recent progresses on the understanding of magnetoelectric coupling mechanisms and the design of magnetoelectricheterostructures guided by theory and computation. We outline a number of unsolved issues concerning magnetoelectricheterostructures.We compile a relatively comprehensive experimental dataset on the magnetoelecric coupling coefficients in both bulk and thin-film magnetoelectric composites and offer a perspective on the data-driven computational design of magnetoelectric composites at the mesoscale microstructure level.