Magnetic instability and pair binding in aromatic hydrocarbon superconductors

作者：Huang Zhongbing^*; Zhang Chao; Lin Hai Qing

来源：Scientific Reports, 2012, 2(1): 922.

DOI：10.1038/srep00922

Understanding magnetism and electron correlation in many unconventional superconductors is essential to explore mechanism of superconductivity. In this work, we perform a systematic numerical study of the magnetic and pair binding properties in recently discovered polycyclic aromatic hydrocarbon (PAH) superconductors including alkali-metal-doped picene, coronene, phenanthrene, and dibenzopentacene. The pi-electrons on the carbon atoms of a single molecule are modelled by the one-orbital Hubbard model, and the energy difference epsilon between carbon atoms with and without hydrogen bonds is taking into account. We demonstrate that the spin polarized ground state is realized for charged molecules in the physical parameter regions, which provides a reasonable explanation of local spins observed in PAHs. In alkali-metal-doped dibenzopentacene, our results show that electron correlation may produce an effective attraction between electrons for the charged molecule with one or three added electrons.

• 出版日期2012-12-4
• 单位湖北大学; 北京计算科学研究中心