The magnetoelectric effect in transition metal oxides: Insights and the rational design of new materials from first principles

被引:64
作者
Birol, Turan [1 ]
Benedek, Nicole A. [1 ,2 ]
Das, Hena [1 ]
Wysocki, Aleksander L. [1 ]
Mulder, Andrew T. [1 ]
Abbett, Brian M. [1 ]
Smith, Eva H. [1 ]
Ghosh, Saurabh [1 ]
Fennie, Craig J. [1 ]
机构
[1] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA
[2] Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA
基金
加拿大自然科学与工程研究理事会; 美国国家科学基金会;
关键词
Magnetoelectric effect; Multiferroics; Complex oxides; First principles; DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; ELECTRONIC-STRUCTURE; PHASE-TRANSITIONS; ORBITAL MAGNETIZATION; CRYSTAL; FERROELECTRICITY; POLARIZATION; PHONONS; BATIO3;
D O I
10.1016/j.cossms.2012.08.002
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The search for materials displaying a large magnetoelectric effect has occupied researchers for many decades. The rewards could include not only advanced electronics technologies, but also fundamental insights concerning the dielectric and magnetic properties of condensed matter. In this article, we focus on the magnetoelectric effect in transition metal oxides and review the manner in which first-principles calculations have helped guide the search for (and increasingly, predicted) new materials and shed light on the microscopic mechanisms responsible for magnetoelectric phenomena. (C) 2012 Elsevier Ltd. All rights reserved.
引用
收藏
页码:227 / 242
页数:16
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