Epitaxial-Strain-Induced Multiferroicity in SrMnO3 from First Principles

被引：292

作者：

Lee, Jun Hee ^{[1
]}

Rabe, Karin M. ^{[1
]}

机构：

[1] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA

来源：

PHYSICAL REVIEW LETTERS | 2010年 / 104卷 / 20期

关键词：

FERROELECTRICITY;

D O I：

10.1103/PhysRevLett.104.207204

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

First-principles calculations reveal a large spin-phonon coupling in cubic SrMnO3, with ferromagnetic ordering producing a polar instability. Through combination of this coupling with the strain-polarization coupling characteristic of perovskites, the bulk antiferromagnetic-paraelectric ground state is driven to a previously unreported multiferroic ferroelectric-ferromagnetic state by increasing epitaxial strain. This state has a computed P-s > 54 mu C/cm(2) and magnetic T-c > 92 K. Large mixed magnetic-electric-elastic responses are predicted in the vicinity of the phase boundaries.

引用

页数：4

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