Magnetic properties of very-high-spin organic pi-conjugated polymers based on Green's function theory
文献类型：期刊论文
| 作者 | H. H. Fu ; K. L. Yao ; Z. L. Liu |
| 刊名 | Journal of Chemical Physics
 |
| 出版日期 | 2008 |
| 卷号 | 129期号:13 |
| 关键词 | intramolecular ferromagnetic interaction phenylene coupling unit macrocyclic polyarylmethyl polyradicals molecule-based ferrimagnetics radical crystals ground-state temperature hydrocarbon clusters polycarbenes |
| ISSN号 | 0021-9606 |
| 中文摘要 | Magnetic properties of two very-high-spin organic pi-conjugated polymers have been investigated theoretically by means of the many-body Green's function method with random phase approximation. The polymers are designed with a large density of cross-links and alternating connectivity of radical modules with unequal spin quantum numbers (S), macrocyclic S=2 or 3, and cross-linking S=1/2 modules, which permit large net S values for either antiferromagnetic or ferromagnetic exchange coupling between the modules. The numerical results reveal that, ascribing to the zero-temperature spin fluctuations, the sublattice magnetizations of the two polymers are both smaller than their classical spin values and the ground-state magnetizations of them are also smaller than their predicted values in the antiferromagnetic exchange coupling case. However, these magnetic behaviors do not occur in the ferromagnetic exchange coupling case. On the basis of our synthesis of the temperature dependence of the magnetic susceptibility multiplied by temperature, and through comparing the theoretical results with the experimental measurements, it is concluded that the magnetic exchange couplings between the modules within the two high-spin polymers should be ferromagnetic exchange couplings, which are consistent with other theoretical results drawn from the investigations into the ground-state properties of the two organic polymers. (C) 2008 American Institute of Physics. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32758]  |
| 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 | H. H. Fu,K. L. Yao,Z. L. Liu. Magnetic properties of very-high-spin organic pi-conjugated polymers based on Green's function theory[J]. Journal of Chemical Physics,2008,129(13). |
| APA | H. H. Fu,K. L. Yao,&Z. L. Liu.(2008).Magnetic properties of very-high-spin organic pi-conjugated polymers based on Green's function theory.Journal of Chemical Physics,129(13). |
| MLA | H. H. Fu,et al."Magnetic properties of very-high-spin organic pi-conjugated polymers based on Green's function theory".Journal of Chemical Physics 129.13(2008). |
入库方式： OAI收割
来源：金属研究所
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