The electronic structure of polymeric complex Co(thiazole)(2)Cl-2 studied by first-principle calculation

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	The electronic structure of polymeric complex Co(thiazole)(2)Cl-2 studied by first-principle calculation
	Y. S. Zhang; K. L. Yao; Z. L. Liu; L. H. Yu; X. L. Wang; Z. B. Li
	2006
发表期刊	Physics Letters A
ISSN	0375-9601
卷号	360 期号:2 页码:380-383
摘要	One-dimensional dihalide-bridged polymer Co(thiazole)(2)Cl-2 has been studied with the self-consistent full-potential linearized augmented plane wave method (FP_LAPW) based on the density functional theory (DFT). Spin distributions in ferromagnetic and antiferromagnetic states of it have been obtained by the calculation. The electronic structure and magnetic coupling between tow cobalt (II) ions along chain are discussed. (c) 2006 Elsevier B.V. All rights reserved.
部门归属	huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. huazhong univ sci & technol, state ke lab laser technol, wuhan 430074, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;zhang, ys (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;zhangysthinker@hotmail.com
关键词	Co(Thiazole)(2)Cl-2 Fp_lapw Dihalide-bridged Polymers Crystal-structure Diffraction Thiazole
URL	查看原文
WOS记录号	WOS:000243250700036
引用统计	被引频次：2[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/321006/34728
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. S. Zhang,K. L. Yao,Z. L. Liu,et al. The electronic structure of polymeric complex Co(thiazole)(2)Cl-2 studied by first-principle calculation[J]. Physics Letters A,2006,360(2):380-383.
APA	Y. S. Zhang,K. L. Yao,Z. L. Liu,L. H. Yu,X. L. Wang,&Z. B. Li.(2006).The electronic structure of polymeric complex Co(thiazole)(2)Cl-2 studied by first-principle calculation.Physics Letters A,360(2),380-383.
MLA	Y. S. Zhang,et al."The electronic structure of polymeric complex Co(thiazole)(2)Cl-2 studied by first-principle calculation".Physics Letters A 360.2(2006):380-383.