First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2
文献类型：期刊论文
| 作者 | Y. L. Li ; K. L. Yao ; Z. L. Liu |
| 刊名 | Journal of Magnetism and Magnetic Materials
 |
| 出版日期 | 2007 |
| 卷号 | 312期号:1页码:L1-L4 |
| 关键词 | first-principles antiferromagnetic states hybridization organic magnets charge-transfer salts temperature |
| ISSN号 | 0304-8853 |
| 中文摘要 | First-principles full potential linearized augmented plane wave (FPLAPW) calculations have been performed to study the electronic structure and the magnetic properties of 3-Cyanobenzo-1,3,2-dithiazolyl,C7H3S2N2. The density of states (DOS), the total energy of the cell, and the spontaneous magnetic moment of C7H3S2N2 were all calculated. The calculations reveal that the low-temperature phase of the compound C7H3S2N2 has a stable metal-antiferromagnetic ground state, and there exists an antiferromagnetically coupled interactions between the dithiazolyl radical(1), which is in good agreement with experiment. (C) 2006 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33665]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Y. L. Li,K. L. Yao,Z. L. Liu. First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2[J]. Journal of Magnetism and Magnetic Materials,2007,312(1):L1-L4. |
| APA | Y. L. Li,K. L. Yao,&Z. L. Liu.(2007).First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2.Journal of Magnetism and Magnetic Materials,312(1),L1-L4. |
| MLA | Y. L. Li,et al."First-principles study on the electronic structure and magnetic properties of metallic antiferromagnet C7H3S2N2".Journal of Magnetism and Magnetic Materials 312.1(2007):L1-L4. |
入库方式： OAI收割
来源：金属研究所
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