A PEIERLS-EXTENDED HUBBARD-MODEL STUDY ON QUASI-ONE-DIMENSIONAL ALTERNANT PI-CONJUGATED HIGH-SPIN HYDROCARBON

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	A PEIERLS-EXTENDED HUBBARD-MODEL STUDY ON QUASI-ONE-DIMENSIONAL ALTERNANT PI-CONJUGATED HIGH-SPIN HYDROCARBON
	Z. Fang; Z. L. Liu; K. L. Yao; Z. G. Li
	1995
发表期刊	Journal of Physics-Condensed Matter
ISSN	0953-8984
卷号	7 期号:44 页码:8429-8435
摘要	A Peierls-extended Hubbard model is used to study the possible high-spin ground state of a quasi-one-dimensional alternant pi-conjugated hydrocarbon with unequal numbers of atoms on two sublattices, which has been predicted to be a good candidate for organic ferromagnets. Considering the strong electron-phonon (e-ph) coupling and electron-electron (e-e) interaction, allowing for full lattice relaxation, the system is optimized by a set of self-consistent iterative equations. The results of the calculation indicate that the system can show a high-spin ground state owing to the topological structure and the on-site e-e interaction. The intersite e-e interaction will cause a charge density distribution and consequently weaken the stability of the high-spin ground state. It is also found that the dimerization amplitude of the system will always decrease with increasing intersite e-e interaction for different e-ph coupling.
部门归属	huazhong univ sci & technol,natl lab laser technol,wuhan 430074,peoples r china. ccast,world lab,ctr theoret phys,beijing,peoples r china. acad sinica,int ctr mat phys,shenyang 110015,peoples r china.;fang, z (reprint author), huazhong univ sci & technol,dept phys,wuhan 430074,peoples r china
关键词	Organic Ferromagnet Ground-state Molecules
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/38563
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. Fang,Z. L. Liu,K. L. Yao,et al. A PEIERLS-EXTENDED HUBBARD-MODEL STUDY ON QUASI-ONE-DIMENSIONAL ALTERNANT PI-CONJUGATED HIGH-SPIN HYDROCARBON[J]. Journal of Physics-Condensed Matter,1995,7(44):8429-8435.
APA	Z. Fang,Z. L. Liu,K. L. Yao,&Z. G. Li.(1995).A PEIERLS-EXTENDED HUBBARD-MODEL STUDY ON QUASI-ONE-DIMENSIONAL ALTERNANT PI-CONJUGATED HIGH-SPIN HYDROCARBON.Journal of Physics-Condensed Matter,7(44),8429-8435.
MLA	Z. Fang,et al."A PEIERLS-EXTENDED HUBBARD-MODEL STUDY ON QUASI-ONE-DIMENSIONAL ALTERNANT PI-CONJUGATED HIGH-SPIN HYDROCARBON".Journal of Physics-Condensed Matter 7.44(1995):8429-8435.