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Yu, XQ; Wu, CJ; Wang, CL; Su, ZB; Yu, XQ , China Ctr Adv Sci & Technol, World Lab, POB 8730, Beijing 100080, Peoples R China.
Electronic and structural properties of C-36 molecule
Source PublicationINTERNATIONAL JOURNAL OF MODERN PHYSICS B
AbstractThe 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.
1999
ISSN0217-9792
Volume13Issue:12Pages:1513-1523
Subject AreaPhysics
Indexed BySCI
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Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/13150
Collection理论物理所科研产出_SCI论文
Corresponding AuthorYu, XQ , China Ctr Adv Sci & Technol, World Lab, POB 8730, Beijing 100080, Peoples R China.
Recommended Citation
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.
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