准一维有机铁磁体中的电荷密度和自旋密度分布

The Distribution of Charge density and Spin Density in Quasi-one-dimensional Organic Ferromagnet

考虑格点间的电子—电子Coulomb排斥及非最近邻电子跳跃相互作用 ,对具有链间耦合的准一维有机铁磁体系统的电荷密度和自旋密度的分布进行了研究。结果表明 ,格点间的电子—电子Coulomb排斥相互作用将导致电荷密度和自旋密度在系统的主链不同格点及侧自由基之间转移 ;两条相邻的链的对应格点间的链间耦合相互作用使电荷密度和自旋密度在主链格点以及侧自由基间发生重新分布的规律相反 ,且在主链格点以及侧自由基间转移的电子均为自旋向下的电子。

Considering the inter-site electron-electron Coulomb repulsion and non-nearest neighbor hopping interactions, we investigate the distribution of charge density and spin density in an interchain coupled quasi-one-dimensional organic ferromagnet. The results show that the inter-site electron—electron Coulomb repulsion leads to transfers of charge density and spin density between different sites on the main chain and side radicals. The interchain couplings between different corresponding sites of two neighbor chain make the transfers of the charge density turn out contrary to that of the spin density, and it is down-spin electrons that transfer between the main chain and side radicals.