Antiferromagnetism in Potassium-Doped Polycyclic Aromatic Hydrocarbons

	Antiferromagnetism in Potassium-Doped Polycyclic Aromatic Hydrocarbons
	Zhong, Guohua; Huang, Zhongbing; Lin, Haiqing
刊名	IEEE TRANSACTIONS ON MAGNETICS
	2014
英文摘要	First-principles density functional calculations are performed to investigate the magnetic characteristics in K-doped polycyclic aromatic hydrocarbons (PAHs) including phenanthrene, picene, 1,2:5,6-dibenzanthracene, 7-phenacene, and 1,2;8,9-dibenzopentacene. With the help of lowest energy crystal structures, the calculated total energies indicate that all five K-doped PAHs are stabilized in an antiferromagnetic ground state, with antiparallel spins between two molecular layers. The magnetic moment in these K-doped PAHs is increased with the increase of benzene rings number, while it is not sensitive to the arrangement of benzene rings. The enhancement of the magnetic moment is caused by a stronger spin splitting near the Fermi level and an increase of magnetic C atoms induced by K atoms with the increase of molecular size. Our results also indicate that the magnetism strongly depends on the crystal structure.
收录类别	SCI
原文出处	http://ieeexplore.ieee.org/stamp/stamp.jsp?tp=&arnumber=6971737
语种	英语
内容类型	期刊论文
源URL	[http://ir.siat.ac.cn:8080/handle/172644/5358]
专题	深圳先进技术研究院_集成所
作者单位	IEEE TRANSACTIONS ON MAGNETICS
推荐引用方式 GB/T 7714	Zhong, Guohua,Huang, Zhongbing,Lin, Haiqing. Antiferromagnetism in Potassium-Doped Polycyclic Aromatic Hydrocarbons[J]. IEEE TRANSACTIONS ON MAGNETICS,2014.
APA	Zhong, Guohua,Huang, Zhongbing,&Lin, Haiqing.(2014).Antiferromagnetism in Potassium-Doped Polycyclic Aromatic Hydrocarbons.IEEE TRANSACTIONS ON MAGNETICS.
MLA	Zhong, Guohua,et al."Antiferromagnetism in Potassium-Doped Polycyclic Aromatic Hydrocarbons".IEEE TRANSACTIONS ON MAGNETICS (2014).