Effects of electron correlation and spin-orbit coupling on the electronic and magnetic properties of TbCu3Mn4O12
文献类型：期刊论文
| 作者 | Liu XJ ; Meng J ; Pan E ; Albrecht JD |
| 刊名 | journal of magnetism and magnetic materials
 |
| 出版日期 | 2010 |
| 卷号 | 322期号:4页码:443-447 |
| 关键词 | MAGNETORESISTANCE CACU3MN4O12 |
| ISSN号 | 0304-8853 |
| 通讯作者 | pan e |
| 中文摘要 | electronic and magnetic properties of the three magnetic-sublattice double perovskite tbcu3mn4o12 (tcmo) are investigated by performing first-principles density-functional theory calculations. our electronic structure calculations show that tcmo is half-metallic and its half-metallicity can only be correctly described when the electron correlation on tb3+ 4f(8) electrons are considered. the energies of different magnetic configurations among the three magnetic sublattices are also calculated, revealing that the magnetic configuration with mn and cu spins in the antiparallel arrangement and with the tb magnetic moments ferromagnetically/antiferromagnetically (fm/afm) coupled to cu/mn spins (that is tb down arrow(cu3mn4o12)-mn-down arrow-o-up arrow) is the lowest energetic magnetic state, which is consistent with recent experimental results. the magnetic anisotropy is further calculated for the [111], [110], and [001] spin quantization directions. it is found that the [111]-direction is more stable than the [110]- and[001]-directions by 123 and 135 mev per formula unit, respectively, indicating a significant magnetic anisotropy. our detailed projected partial density of states analysis finally shows that cu and mn are antiferromagnetically coupled by superexchange interaction and tb is expected to interact fm with a-site cu and afm with b-site mn sublattices by way of 4f-2p-3d. (c) 2009 elsevier b.v. all rights reserved. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000271772200011 |
| 公开日期 | 2012-06-07 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/43999]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Liu XJ,Meng J,Pan E,et al. Effects of electron correlation and spin-orbit coupling on the electronic and magnetic properties of TbCu3Mn4O12[J]. journal of magnetism and magnetic materials,2010,322(4):443-447. |
| APA | Liu XJ,Meng J,Pan E,&Albrecht JD.(2010).Effects of electron correlation and spin-orbit coupling on the electronic and magnetic properties of TbCu3Mn4O12.journal of magnetism and magnetic materials,322(4),443-447. |
| MLA | Liu XJ,et al."Effects of electron correlation and spin-orbit coupling on the electronic and magnetic properties of TbCu3Mn4O12".journal of magnetism and magnetic materials 322.4(2010):443-447. |
入库方式： OAI收割
来源：长春应用化学研究所
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