Stability of the high-spin ground state in alternant pi-conjugated organic molecules: Effects of the non-nearest neighbor hopping interactions of pi-electrons

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	Stability of the high-spin ground state in alternant pi-conjugated organic molecules: Effects of the non-nearest neighbor hopping interactions of pi-electrons
	Z. Fang; Z. L. Liu; K. L. Yao; Z. G. Li
	1996
Source Publication	Solid State Communications
ISSN	0038-1098
Volume	98 Issue:4 Pages:361-365
Abstract	The possible high-spin ground state of an alternant pi-conjugated hydrocarbon with unequal numbers of atoms on two sublattices, which has been predicted to be a good candidate for quasi-one-dimensional organic ferromagnets, is studied by Peierls-Hubbard model. Considering the non-nearest neighbor hopping interaction of pi-electrons and allowing for full lattice relaxation, a set of self-consistent iterative equations is established to study this system. The results of calculation show that the system can show a high-spin ground state owing to the topological structure and the electron-electron correlation. The second-nearest neighbor hopping interaction will destroy the stability of the high-spin ground state, and the third-nearest neighbor hopping interactions will make the high-spin ground state more stable.
description.department	acad sinica,int ctr mat phys,shenyang 110015,peoples r china. huazhong univ sci & technol,natl lab laser technol,wuhan 430074,peoples r china.;fang, z (reprint author), huazhong univ sci & technol,dept phys,wuhan 430074,peoples r china
Keyword	Ferromagnets
URL	查看原文
Document Type	期刊论文
Identifier	http://ir.imr.ac.cn/handle/321006/38278
Collection	中国科学院金属研究所
Recommended Citation GB/T 7714	Z. Fang,Z. L. Liu,K. L. Yao,et al. Stability of the high-spin ground state in alternant pi-conjugated organic molecules: Effects of the non-nearest neighbor hopping interactions of pi-electrons[J]. Solid State Communications,1996,98(4):361-365.
APA	Z. Fang,Z. L. Liu,K. L. Yao,&Z. G. Li.(1996).Stability of the high-spin ground state in alternant pi-conjugated organic molecules: Effects of the non-nearest neighbor hopping interactions of pi-electrons.Solid State Communications,98(4),361-365.
MLA	Z. Fang,et al."Stability of the high-spin ground state in alternant pi-conjugated organic molecules: Effects of the non-nearest neighbor hopping interactions of pi-electrons".Solid State Communications 98.4(1996):361-365.

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