标题：Cu-induced spin polarization in tris(8-hydroxyquinoline) aluminum
作者：Yuan, Huimin; Wang, Fenggong; Jiang, Feng; Xie, Wanfeng; Zhang, Xijian; Pang, Zhiyong; Han, Shenghao
作者机构：[Yuan, Huimin; Wang, Fenggong; Jiang, Feng; Xie, Wanfeng; Zhang, Xijian; Pang, Zhiyong; Han, Shenghao] Shandong Univ, Sch Phys, State Key Lab Crystal 更多
会议名称：10th International Conference on New Theories, Discoveries and Applications of Superconductivity New3SC
会议日期：OCT 26-29, 2014
来源：INTERNATIONAL JOURNAL OF MODERN PHYSICS B
关键词：Tris(8-hydroxyquinoline) aluminum; spin polarization; electronic; structure; density functional theory
摘要：Cu-induced spin polarization in tris(8-hydroxyquinoline) aluminum (Alq(3)) has been studied by first-principles calculation. The entanglement between an electron transfer from Cu to Alq(3) and a structural distortion of the Alq(3) molecule gives rise to a strong spin polarization in this originally nonmagnetic molecule Alq(3). The calculated total magnetic moment mainly resides on the Alq(3) molecule (0.6 mu B), while that on Cu is moderate (0.4 mu B). The finding of a spin polarization induced by the nonmagnetic element Cu is helpful for understanding of spin-related phenomenon in Alq(3) and potentially enabling future magnetic-metal-free organic spintronics.