Electronic and magnetic properties of an organic multiferroic: (C2H5NH3)(2)CuCl4
文献类型：期刊论文
| 作者 | Ding, J ; Li, HS ; Wen, LW ; Kang, XB ; Li, HD ; Zhang, JM |
| 刊名 | JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
 |
| 出版日期 | 2013 |
| 卷号 | 346页码:91 |
| 关键词 | Magnetic property Organic multiferroic Orbital order |
| ISSN号 | 0304-8853 |
| 通讯作者 | Ding, J (reprint author), Henan Inst Engn, Coll Sci, Zhengzhou 451191, Peoples R China. |
| 中文摘要 | (C2H5NH3)(2)CuCl4 was proposed to be a ferroelectric material with dominant ferromagnetic interactions. Using first-principles calculations we find that the insulating state and in-plane ferromagnetism induced by d(z2-x2)-d(z2-y2) orbital order can be expressed well by generalized gradient approximation (GGA) at ambient pressure. While the Jahn Teller distortion (JTD) is suppressed under critical pressure of 4 GPa, as a result the new d(z)z orbital order leads to in-plane antiferromagnetism. Meanwhile the conventional GGA gives a wrong metal state. Our results suggest that (C2H5NH3)(2)CuCl4 is a strong correlated charge transfer insulator, while the depress of JTD by pressure changes it to a Mott Hubbard insulator. (C) 2013 Elsevier B.V. All rights reserved. |
| 资助信息 | National Natural Science Foundation of China [10974231]; Special Funds of the National Natural Science Foundation of China [11147139]; Science and Technology Research Program of Henan Province of China [132102210141] |
| 语种 | 英语 |
| 公开日期 | 2014-01-16 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/56948]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Ding, J,Li, HS,Wen, LW,et al. Electronic and magnetic properties of an organic multiferroic: (C2H5NH3)(2)CuCl4[J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,2013,346:91. |
| APA | Ding, J,Li, HS,Wen, LW,Kang, XB,Li, HD,&Zhang, JM.(2013).Electronic and magnetic properties of an organic multiferroic: (C2H5NH3)(2)CuCl4.JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,346,91. |
| MLA | Ding, J,et al."Electronic and magnetic properties of an organic multiferroic: (C2H5NH3)(2)CuCl4".JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 346(2013):91. |
入库方式： OAI收割
来源：物理研究所
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