Spin/orbital coupling and charge ordering in LaMnO3/SrMnO3 superlattice

被引：6

作者：

Tang, Fu-Ling ^{[1
,2
]}

Hu, Yu-Xia ^{[1
,2
]}

Lu, Wen-Jiang ^{[1
]}

Chu, Ke ^{[1
]}

Feng, Yu-Dong ^{[2
]}

Wu, Chun-Hua ^{[2
]}

Xu, Min ^{[2
]}

机构：

[1] Lanzhou Univ Technol, State Key Lab Gansu Adv Nonferrous Met Mat, Dept Mat Sci & Engn, Lanzhou 730050, Peoples R China

[2] Lanzhou Inst Phys, Sci & Technol Surface Engn Lab, Lanzhou 730000, Peoples R China

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2013年 / 333卷

基金：

中国国家自然科学基金;

关键词：

DFT; La1/2Sr1/2MnO3 (LSMO); Charge-orbital ordering; Magnetic ordering; MAGNETIC-PROPERTIES; DOPED MANGANITES; PHYSICS; TRANSPORT; OXIDES; LA1-XSRXMNO3; TEMPERATURE; TRANSITION; SPECTRA; SPIN;

D O I：

10.1016/j.jmmm.2012.12.032

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Coupled spin, orbital and charge ordering in half-doped perovskite La1/2Sr1/2MnO3 (LSMO) superlattice are quantitatively investigated in realspace using the generalized gradient approximation (GGA) plus on-site Coulomb repulsion U (GGA+U) method. It is found that the high spin Mn3+ site exhibits an elongation of MnO6 octahedral for the Jahn-Teller distortion, with estimated distortion energy about 0.1 eV. The occupied e(g) states of Mn3+ cations are predominantly of dz(2) character, which contribute mainly to the orbital ordering in LSMO. Mn3+ and Mn4+ ions show electronic disproportionation and lead to an e(g) charge ordering distribution. As the thickness of one period of LSMO superlattice increases, the spin magnetic moments increase and the charge order effect reduces. (C) 2012 Elsevier BY. All rights reserved.

引用

页码：8 / 12

页数：5

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