Electronic and structural properties of C-36 molecule
文献类型：期刊论文
| 作者 | Yu, XQ; Wu, CJ; Wang, CL; Su, ZB ; Yu, XQ , China Ctr Adv Sci & Technol, World Lab, POB 8730, Beijing 100080, Peoples R China.
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| 刊名 | INTERNATIONAL JOURNAL OF MODERN PHYSICS B
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| 出版日期 | 1999 |
| 卷号 | 13期号:12页码:1513-1523 |
| ISSN号 | 0217-9792 |
| 英文摘要 | The extended SSH model and Bogoliubov-de-Gennes (BdeG) formalism are applied to investigate the electronic properties and stable lattice configurations of C-36 We focus the problem on the molecule's unusual D-6h symmetry. The electronic part of Hamiltonian without Coulomb interaction is solved analytically. We found that the gap between HOMO and LUMO is small due to the long distance hopping between the 2nd and 5th layers. The charge densities of HOMO and LUMO states are mainly distributed in the two layers, that causes a large splitting between the spin triplet and singlet excitons. The differences of bond lengths, angles and charge densities among molecule and polarons are discussed. |
| 学科主题 | Physics |
| URL标识 | 查看原文 |
| WOS记录号 | WOS:000081429200005 |
| 公开日期 | 2012-08-29 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/13150]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
| 通讯作者 | Yu, XQ , China Ctr Adv Sci & Technol, World Lab, POB 8730, Beijing 100080, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Yu, XQ,Wu, CJ,Wang, CL,et al. Electronic and structural properties of C-36 molecule[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS B,1999,13(12):1513-1523. |
| APA | Yu, XQ,Wu, CJ,Wang, CL,Su, ZB,&Yu, XQ , China Ctr Adv Sci & Technol, World Lab, POB 8730, Beijing 100080, Peoples R China..(1999).Electronic and structural properties of C-36 molecule.INTERNATIONAL JOURNAL OF MODERN PHYSICS B,13(12),1513-1523. |
| MLA | Yu, XQ,et al."Electronic and structural properties of C-36 molecule".INTERNATIONAL JOURNAL OF MODERN PHYSICS B 13.12(1999):1513-1523. |
入库方式： OAI收割
来源：理论物理研究所
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