Electronic and magnetic properties of YBa2Fe3O8 from a first-principles study
文献类型：期刊论文
| 作者 | Xu YH ; Hao XF ; Lu MF ; Wu ZJ ; Zhou DF ; Meng J |
| 刊名 | solid state communications
 |
| 出版日期 | 2008 |
| 卷号 | 147期号:3页码:130-133 |
| 关键词 | NEUTRON-POWDER-DIFFRACTION SUBSTITUTION NUCLEAR |
| ISSN号 | 0038-1098 |
| 通讯作者 | zhou df |
| 中文摘要 | the electronic and magnetic properties of yba2fe3o8 have been systematically investigated within the framework of density-functional theory using the standard generalized gradient approximation (gga) as well as the gga plus hubbard u(gga + u) method. the gga results show that the g-type antiferromagnetic (afm) state is preferred among the considered magnetic configurations. the striking ionic character is shown for y and ba atoms while very strong hybridization is found between fe 3d and o 2p orbitals |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000257791300014 |
| 公开日期 | 2010-04-14 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/9825]  |
| 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 | Xu YH,Hao XF,Lu MF,et al. Electronic and magnetic properties of YBa2Fe3O8 from a first-principles study[J]. solid state communications,2008,147(3):130-133. |
| APA | Xu YH,Hao XF,Lu MF,Wu ZJ,Zhou DF,&Meng J.(2008).Electronic and magnetic properties of YBa2Fe3O8 from a first-principles study.solid state communications,147(3),130-133. |
| MLA | Xu YH,et al."Electronic and magnetic properties of YBa2Fe3O8 from a first-principles study".solid state communications 147.3(2008):130-133. |
入库方式： OAI收割
来源：长春应用化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。