Magnetic properties of very-high-spin organic pi-conjugated polymers based on Green's function theory

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	Magnetic properties of very-high-spin organic pi-conjugated polymers based on Green's function theory
	H. H. Fu; K. L. Yao; Z. L. Liu
	2008
发表期刊	Journal of Chemical Physics
ISSN	0021-9606
卷号	129 期号:13
摘要	Magnetic properties of two very-high-spin organic pi-conjugated polymers have been investigated theoretically by means of the many-body Green's function method with random phase approximation. The polymers are designed with a large density of cross-links and alternating connectivity of radical modules with unequal spin quantum numbers (S), macrocyclic S=2 or 3, and cross-linking S=1/2 modules, which permit large net S values for either antiferromagnetic or ferromagnetic exchange coupling between the modules. The numerical results reveal that, ascribing to the zero-temperature spin fluctuations, the sublattice magnetizations of the two polymers are both smaller than their classical spin values and the ground-state magnetizations of them are also smaller than their predicted values in the antiferromagnetic exchange coupling case. However, these magnetic behaviors do not occur in the ferromagnetic exchange coupling case. On the basis of our synthesis of the temperature dependence of the magnetic susceptibility multiplied by temperature, and through comparing the theoretical results with the experimental measurements, it is concluded that the magnetic exchange couplings between the modules within the two high-spin polymers should be ferromagnetic exchange couplings, which are consistent with other theoretical results drawn from the investigations into the ground-state properties of the two organic polymers. (C) 2008 American Institute of Physics.
部门归属	[fu, hua-hua; yao, kai-lun; liu, zu-li] huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. [yao, kai-lun] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. [liu, zu-li] nanjing univ, state key lab coordinat chem, nanjing 210093, peoples r china.;fu, hh (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;fuhust@yahoo.com.cn klyao@mail.hust.edu.cn
关键词	Intramolecular Ferromagnetic Interaction Phenylene Coupling Unit Macrocyclic Polyarylmethyl Polyradicals Molecule-based Ferrimagnetics Radical Crystals Ground-state Temperature Hydrocarbon Clusters Polycarbenes
URL	查看原文
WOS记录号	WOS:000259876700045
引用统计	被引频次：15[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32758
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. H. Fu,K. L. Yao,Z. L. Liu. Magnetic properties of very-high-spin organic pi-conjugated polymers based on Green's function theory[J]. Journal of Chemical Physics,2008,129(13).
APA	H. H. Fu,K. L. Yao,&Z. L. Liu.(2008).Magnetic properties of very-high-spin organic pi-conjugated polymers based on Green's function theory.Journal of Chemical Physics,129(13).
MLA	H. H. Fu,et al."Magnetic properties of very-high-spin organic pi-conjugated polymers based on Green's function theory".Journal of Chemical Physics 129.13(2008).