A PEIERLS-EXTENDED HUBBARD-MODEL STUDY ON QUASI-ONE-DIMENSIONAL ALTERNANT PI-CONJUGATED HIGH-SPIN HYDROCARBON
文献类型：期刊论文
| 作者 | Z. Fang ; Z. L. Liu ; K. L. Yao ; Z. G. Li |
| 刊名 | Journal of Physics-Condensed Matter
 |
| 出版日期 | 1995 |
| 卷号 | 7期号:44页码:8429-8435 |
| 关键词 | organic ferromagnet ground-state molecules |
| ISSN号 | 0953-8984 |
| 中文摘要 | A Peierls-extended Hubbard model is used to study the possible high-spin ground state of a quasi-one-dimensional alternant pi-conjugated hydrocarbon with unequal numbers of atoms on two sublattices, which has been predicted to be a good candidate for organic ferromagnets. Considering the strong electron-phonon (e-ph) coupling and electron-electron (e-e) interaction, allowing for full lattice relaxation, the system is optimized by a set of self-consistent iterative equations. The results of the calculation indicate that the system can show a high-spin ground state owing to the topological structure and the on-site e-e interaction. The intersite e-e interaction will cause a charge density distribution and consequently weaken the stability of the high-spin ground state. It is also found that the dimerization amplitude of the system will always decrease with increasing intersite e-e interaction for different e-ph coupling. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/38563]  |
| 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 | Z. Fang,Z. L. Liu,K. L. Yao,et al. A PEIERLS-EXTENDED HUBBARD-MODEL STUDY ON QUASI-ONE-DIMENSIONAL ALTERNANT PI-CONJUGATED HIGH-SPIN HYDROCARBON[J]. Journal of Physics-Condensed Matter,1995,7(44):8429-8435. |
| APA | Z. Fang,Z. L. Liu,K. L. Yao,&Z. G. Li.(1995).A PEIERLS-EXTENDED HUBBARD-MODEL STUDY ON QUASI-ONE-DIMENSIONAL ALTERNANT PI-CONJUGATED HIGH-SPIN HYDROCARBON.Journal of Physics-Condensed Matter,7(44),8429-8435. |
| MLA | Z. Fang,et al."A PEIERLS-EXTENDED HUBBARD-MODEL STUDY ON QUASI-ONE-DIMENSIONAL ALTERNANT PI-CONJUGATED HIGH-SPIN HYDROCARBON".Journal of Physics-Condensed Matter 7.44(1995):8429-8435. |
入库方式： OAI收割
来源：金属研究所
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