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 Jian-Guo; Peng GX(彭光雄)
2004
发表期刊理论物理通讯(英文版)
期号10页码:798-800
摘要The electronic structure and the magnetic properties of the non-pure organic ferromagnetic compoundMnCu(pbaOH)(H2O)3 with pbaOH=2-hydroxy-1,3opropylenebis (oxamato) are studied by using the density-functionaltheory with local-spin-density approximation.The density of states,total energy,and the spin magnetic moment arecalculated.The calculations reveal that the compound MnCu(pbaOH)(H2O)3 has a stable metal-ferromagnetic groundstate,and the spin magnetic moment per molecule is 2.208μB,and the spin magnetic moment is mainly from Mn ionand Cu ion.An antiferromagnetic order is expected and the antiferromagnetic exchange interaction of d-electrons ofCu and Mn passes through the antiferromagnetic interaction between the adjacent C,O,and N atoms along the pathlinking the atoms Cu and Mn.
关键词density-functional theory non purely organic magnet electronic structure ferromagnetic properties
收录类别CNKI
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/216051
专题理论物理室
推荐引用方式
GB/T 7714
YAO Jian-Guo,Peng GX. Studies on Electronic Structure and Magnetic Properties of an Organic Magnet with Metallic Mn2+ and Cu2+ Ions[J]. 理论物理通讯(英文版),2004(10):798-800.
APA YAO Jian-Guo,&彭光雄.(2004).Studies on Electronic Structure and Magnetic Properties of an Organic Magnet with Metallic Mn2+ and Cu2+ Ions.理论物理通讯(英文版)(10),798-800.
MLA YAO Jian-Guo,et al."Studies on Electronic Structure and Magnetic Properties of an Organic Magnet with Metallic Mn2+ and Cu2+ Ions".理论物理通讯(英文版) .10(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
8737.pdf(134KB)期刊论文作者接受稿开放获取CC BY-NC-SA浏览 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 Jian-Guo]的文章
[彭光雄]的文章
百度学术
百度学术中相似的文章
[YAO Jian-Guo]的文章
[彭光雄]的文章
必应学术
必应学术中相似的文章
[YAO Jian-Guo]的文章
[彭光雄]的文章
相关权益政策
暂无数据
收藏/分享
文件名: 8737.pdf
格式: Adobe PDF
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。