| Electronic and magnetic properties of 3d transition-metal selenides from first principles | |
| Ding, Yi ; Wang, Yanli ; Ni, Jun | |
| 2010-10-12 ; 2010-10-12 | |
| 关键词 | Selenide Doping effect Magnetism Physics, Condensed Matter |
| 中文摘要 | We have studied the electronic and magnetic properties of the PbO-type 3d transition-metal selenides (TMSes) by first principles calculations. We find that TiSe and VSe have ionic type bonds and the other TM-Se bonds are the mixed metallic-ionic-covalent type similar to the Fe-As bonds in the iron-based superconductors. FeSe has the shortest TM-Se bond and unique stripe antiferromagnetic ground state. CrSe and MnSe have a ferromagnetic ground state, while the other TMSes have a nonmagnetic ground state. Both nonmagnetic Co dopants and magnetic Mn dopants in FeSe compress the stripe antiferromagnetic state, while the magnetic trends are different as the doping concentration increases. (C) 2009 Elsevier Ltd. All rights reserved. |
| 语种 | 英语 ; 英语 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD ; OXFORD ; THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND |
| 内容类型 | 期刊论文 |
| 源URL | [http://hdl.handle.net/123456789/81642]  |
| 专题 | 清华大学 |
| 推荐引用方式 GB/T 7714 | Ding, Yi,Wang, Yanli,Ni, Jun. Electronic and magnetic properties of 3d transition-metal selenides from first principles[J],2010, 2010. |
| APA | Ding, Yi,Wang, Yanli,&Ni, Jun.(2010).Electronic and magnetic properties of 3d transition-metal selenides from first principles.. |
| MLA | Ding, Yi,et al."Electronic and magnetic properties of 3d transition-metal selenides from first principles".(2010). |
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