Interplay of strain and magnetism in La1-xSrxMnO3 from first principles

被引：37

作者：

Colizzi, Giuseppe ^{[1
]}

Filippetti, Alessio

Cossu, Fabrizio

Fiorentini, Vincenzo

机构：

[1] Univ Cagliari, Dipartimento Fis, I-09042 Monserrato, Ca, Italy

来源：

PHYSICAL REVIEW B | 2008年 / 78卷 / 23期

关键词：

ab initio calculations; APW calculations; density functional theory; ferromagnetic-antiferromagnetic transitions; lanthanum compounds; lattice constants; strontium compounds;

D O I：

10.1103/PhysRevB.78.235122

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The structural, electronic, and magnetic properties of La0.625Sr0.375MnO3 under planar and orthogonal (i.e., uniaxial) strains are investigated from first-principles generalized gradient approximation (GGA) and GGA+U approaches. We analyze a series of magnetic phase transitions from ferromagnetic to A-type and C-type antiferromagnetic orderings caused by uniaxial strain at various in-plane lattice constants. The competition between ferromagnetic and antiferromagnetic interactions obeys the following general rule: antiferromagnetic coupling is enhanced in the direction parallel to applied strain, while ferromagnetic coupling is enhanced in the orthogonal direction. The microscopic mechanisms at the basis of the strain effects are analyzed in detail.

引用

页数：12

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