Ferromagnetism in multiferroic BiFeO3 films: A first-principles-based study

被引：126

作者：

Albrecht, D. ^{[1
]}

Lisenkov, S. ^{[2
]}

Ren, Wei ^{[1
]}

Rahmedov, D. ^{[1
]}

Kornev, Igor A. ^{[3
]}

Bellaiche, L. ^{[1
]}

机构：

[1] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA

[2] Univ S Florida, Dept Phys, Tampa, FL 33620 USA

[3] Ecole Cent Paris, Lab SPMS, CNRS, UMR 8580, F-92295 Chatenay Malabry, France

来源：

PHYSICAL REVIEW B | 2010年 / 81卷 / 14期

基金：

美国国家科学基金会;

关键词：

PHASE-TRANSITIONS; WEAK FERROMAGNETISM; BISMUTH FERRITE; 1ST PRINCIPLES; HETEROSTRUCTURES; CRYSTAL; BATIO3;

D O I：

10.1103/PhysRevB.81.140401

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An ab initio scheme is developed, and first-principles calculations are performed, to investigate ferromagnetism in BiFeO3 (BFO) thick and ultrathin films. These systems all possess a weak magnetization that results from a spin canting (that is induced by the tilting of the oxygen octahedra) and that increases from 0 to similar or equal to 0.027 mu(B) as the temperature is decreased below the Neel temperature. Such findings contradict a suggestion that the coupling between magnetic dipoles and mismatch strain leads to the previously reported large values for the magnetization in BFO films. This spin canting is also found to be essential for the linear magnetoelectric effect to occur.

引用

页数：4

共 41 条

[1] First-principles calculations of the electronic structure and spectra of strongly correlated systems: The LDA+U method [J].