IHEP OpenIR  > 理论物理室
Studies on electronic structure and magnetic properties of an organic magnet with metallic Mn2+ and Cu2+ ions
Yao, JG; Peng GX(彭光雄); Peng, GX
2004
发表期刊COMMUNICATIONS IN THEORETICAL PHYSICS
卷号42期号:5页码:798-800
通讯作者Hubei Automot Ind Inst, Dept Basic Sci, Shiyan 442002, Peoples R China ; Chinese Acad Sci, Inst High Energy Phys, Beijing 100039, Peoples R China
文章类型Article
摘要The electronic structure and the magnetic properties of the non-pure organic ferromagnetic compound MnCu(pbaOH)(H2O)(3) with pbaOH = 2-hydroxy-1, 3-propylenebis (oxamato) are studied by using the density-functional theory with local-spin-density approximation. The density of states, total energy, and the spin magnetic moment are calculated. The calculations reveal that the compound MnCu(pbaOH)(H2O)(3) has a stable metal-ferromagnetic ground state, and the spin magnetic moment per molecule is 2.208 mu(B), and the spin magnetic moment is mainly from Mn ion and Cu ion. An antiferromagnetic order is expected and the antiferromagnetic exchange interaction of d-electrons of Cu and Mn passes through the antiferromagnetic interaction between the adjacent C, O, and N atoms along the path linking the atoms Cu and Mn.
关键词density-functional theory non purely organic magnet electronic structure ferromagnetic properties
学科领域Physics
研究领域[WOS]Physics ; Physics
URL查看原文
语种英语
研究领域[WOS]Physics ; Physics
WOS类目Physics, Multidisciplinary
WOS记录号WOS:000225674200031
引用统计
被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/238513
专题理论物理室
作者单位中国科学院高能物理研究所
推荐引用方式
GB/T 7714
Yao, JG,Peng GX,Peng, GX. Studies on electronic structure and magnetic properties of an organic magnet with metallic Mn2+ and Cu2+ ions[J]. COMMUNICATIONS IN THEORETICAL PHYSICS,2004,42(5):798-800.
APA Yao, JG,彭光雄,&Peng, GX.(2004).Studies on electronic structure and magnetic properties of an organic magnet with metallic Mn2+ and Cu2+ ions.COMMUNICATIONS IN THEORETICAL PHYSICS,42(5),798-800.
MLA Yao, JG,et al."Studies on electronic structure and magnetic properties of an organic magnet with metallic Mn2+ and Cu2+ ions".COMMUNICATIONS IN THEORETICAL PHYSICS 42.5(2004):798-800.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
5443.pdf(134KB)期刊论文作者接受稿限制开放CC BY-NC-SA请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Yao, JG]的文章
[彭光雄]的文章
[Peng, GX]的文章
百度学术
百度学术中相似的文章
[Yao, JG]的文章
[彭光雄]的文章
[Peng, GX]的文章
必应学术
必应学术中相似的文章
[Yao, JG]的文章
[彭光雄]的文章
[Peng, GX]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。