Structural, magnetic, and optical properties of BiFeO3 and Bi2FeMnO6 epitaxial thin films:: An experimental and first-principles study

被引：171

作者：

Bi, Lei ^{[1
]}

Taussig, Alexander R. ^{[1
]}

Kim, Hyun-Suk ^{[1
]}

Wang, Lei ^{[1
]}

Dionne, Gerald F. ^{[1
,2
]}

Bono, D. ^{[1
]}

Persson, K. ^{[1
]}

Ceder, Gerbrand ^{[1
]}

Ross, C. A. ^{[1
]}

机构：

[1] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA

[2] MIT, Lincoln Lab, Lexington, MA 02420 USA

来源：

PHYSICAL REVIEW B | 2008年 / 78卷 / 10期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1103/PhysRevB.78.104106

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

BiFeO3 and Bi2FeMnO6 films were epitaxially grown on SrTiO3 (001) substrates by pulsed-laser deposition, and their structural, magnetic, magneto-optical and optical properties were measured. In Bi2FeMnO6, Fe is mainly present in the 3+ valence state, while Mn shows multivalence states. Bi2FeMnO6 exhibits low magnetization at room temperature and at 5 K indicating there is no significant B-site ordering. The BiFeO3 film shows high optical transparency, while Bi2FeMnO6 shows high absorption loss in the infrared. Density-functional theory modeling of BiFeO3, BiMnO3 and Bi2FeMnO6 was carried out by applying the generalized gradient approximation (GGA) and GGA+U methods. The formation enthalpy of ordered Bi2FeMnO6 is positive for several crystal symmetries and for ferromagnetic (FM) or antiferromagnetic (AFM) spin structures at 0 K temperature, indicating B-site ordering is not favored. The electronic structure calculations are consistent with the electronic and optical properties of these films.

引用

页数：10

共 52 条

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