棱形AB_2链的电子结构及铁磁基态稳定性

The Electron Structure and Stability of the Organic Ferromagnetic State for a Bipartite AB_2 Chain

对准一维有机聚合物棱形链ＡＢ２结构的磁性机理进行了研究．详细考虑该体系中的电子跳跃和电子关联，在平均场理论框架下，自恰地计算了其能带结构和自旋密度分布．结果表明，在半满情况下，体系显示磁有序，能级对自旋劈裂，基态是稳定的铁磁态．

The ferromagnetic properties of quasi-one-dimensional bipartite lozenge chain AB2 are covered, in this paper Concerning the electron hoping and electron-electron correlation in one-dimensional system, and within the mean-field theory, self-consistent calculations are performed to investigate the structure of energy band and the distribution of spin density. The results show that these materials exhibit ferrimagenetic ordering in the case of a half-filled band, the energy levels of the electrons split off with respect to different spins, and the ground state is a stable ferromagnetic state.