Ferrimagnetic and semiconducting CaCu3Fe2Sb2O12 by first principles
文献类型：期刊论文
| 作者 | Xiang HP ; Wang JP ; Meng J ; Wu ZJ |
| 刊名 | computational materials science
 |
| 出版日期 | 2009 |
| 卷号 | 46期号:2页码:307-309 |
| 关键词 | HIGH-PRESSURE SYNTHESIS PEROVSKITE |
| ISSN号 | 0927-0256 |
| 通讯作者 | wu zj |
| 中文摘要 | cacu3fe2sb2o12 is mechanically stable, thermodynamically stable at pressures above 18 gpa. both gga and gga + u methods predict that it is a ferrimagnetic semiconductor with fe3+ in high spin state (s = 5/2). the coupling of fe-cu is antiferromagnetic, while that of cu-cu is ferromagnetic. the calculated total spin moment is 6.17 mu(b). |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000269599200007 |
| 公开日期 | 2010-05-04 |
| 源URL | [http://202.98.16.49/handle/322003/11755]  |
| 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 | Xiang HP,Wang JP,Meng J,et al. Ferrimagnetic and semiconducting CaCu3Fe2Sb2O12 by first principles[J]. computational materials science,2009,46(2):307-309. |
| APA | Xiang HP,Wang JP,Meng J,&Wu ZJ.(2009).Ferrimagnetic and semiconducting CaCu3Fe2Sb2O12 by first principles.computational materials science,46(2),307-309. |
| MLA | Xiang HP,et al."Ferrimagnetic and semiconducting CaCu3Fe2Sb2O12 by first principles".computational materials science 46.2(2009):307-309. |
入库方式： OAI收割
来源：长春应用化学研究所
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