Ferromagnetic interaction between a-site cu spins in a-site-ordered perovskites a ' cu3sn4o12 with a ' = ca2+, sr2+, pb2+, and la3+
文献类型：期刊论文
| 作者 | Li, Hongping1,2; Lv, Shuhui1,2; Han, Deming1,2; Liu, Xiaojuan1; Meng, Jian1 |
| 刊名 | Chemical physics letters
 |
| 出版日期 | 2010-07-19 |
| 卷号 | 494期号:4-6页码:213-217 |
| ISSN号 | 0009-2614 |
| DOI | 10.1016/j.cplett.2010.06.030 |
| 通讯作者 | Liu, xiaojuan(lxjuan@ciac.jl.cn) |
| 英文摘要 | The electronic and magnetic properties of the recently synthesized a-site-ordered perovskites a'cu3sn4o12 with a' = ca2+, sr2+, and pb2+ were investigated by use of the density functional theory. the results indicate that the ground states of them are all ferromagnetic insulator and the magnetic properties are determined primarily by the direct ferromagnetic interaction between a-site cu2+ ions, which is consistent with the available experimental results. by replacing bivalent a' ion by trivalent la ion, we found that the electron is injected into a-site cu and lacu3sn4o12 is predicted to be ferromagnetic half-metallic. (c) 2010 elsevier b. v. all rights reserved. |
| WOS关键词 | INITIO MOLECULAR-DYNAMICS ; TOTAL-ENERGY CALCULATIONS ; AUGMENTED-WAVE METHOD ; CHARGE-TRANSFER ; BASIS-SET ; MAGNETORESISTANCE ; LACU3MN4O12 ; CACU3MN4O12 ; CACU3V4O12 ; METALS |
| WOS研究方向 | Chemistry ; Physics |
| WOS类目 | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 语种 | 英语 |
| WOS记录号 | WOS:000279743400018 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2414609 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Liu, Xiaojuan |
| 作者单位 | 1.Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resources Utilizat, Changchun 130022, Jilin, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 10049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Hongping,Lv, Shuhui,Han, Deming,et al. Ferromagnetic interaction between a-site cu spins in a-site-ordered perovskites a ' cu3sn4o12 with a ' = ca2+, sr2+, pb2+, and la3+[J]. Chemical physics letters,2010,494(4-6):213-217. |
| APA | Li, Hongping,Lv, Shuhui,Han, Deming,Liu, Xiaojuan,&Meng, Jian.(2010).Ferromagnetic interaction between a-site cu spins in a-site-ordered perovskites a ' cu3sn4o12 with a ' = ca2+, sr2+, pb2+, and la3+.Chemical physics letters,494(4-6),213-217. |
| MLA | Li, Hongping,et al."Ferromagnetic interaction between a-site cu spins in a-site-ordered perovskites a ' cu3sn4o12 with a ' = ca2+, sr2+, pb2+, and la3+".Chemical physics letters 494.4-6(2010):213-217. |
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来源：中国科学院大学
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