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Ab-initio study of electronic structure and magnetic properties of Pipz-H-2[MnF4(HF2)]
Yao, KL; Wang, LQ; Liu, ZL; Zou, WD; Luo, SJ; Zu, FX; Zhu, L
Corresponding AuthorYao, KL()
2003-10-01
Source PublicationCHINESE PHYSICS LETTERS
ISSN0256-307X
Volume20Issue:10Pages:1710-1713
AbstractThe full-potential linearized augmented plane wave method was applied to study the electronic and the magnetic properties of the compound pipz-H-2[MnF4(HF2)](pipz=piperazine). The band structure, the total density of states, the partial density of states and the electron density were calculated to explain the electronic and the magnetic properties of pipz-H-2[MnF4(HF2)] in the ferromagnetic state. It is found that the magnetic moment of the molecule mainly comes from the Mn atoms with partial contribution from the F atoms. The symmetrical sigma/sigma, bonds via H atoms along Mn-F-H-F-Mn chains and the weak direct-exchange interaction between F(2), F(3) and Mn atoms have effect on the electronic structure and the magnetism of pipz-H-2[MnF4(HF2)].
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
WOS IDWOS:000186039100016
PublisherIOP PUBLISHING LTD
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/117271
Collection中国科学院金属研究所
Corresponding AuthorYao, KL
Affiliation1.Huazhong Univ Sci & Technol, Dept Phys, Wuhan 430074, Peoples R China
2.Huazhong Univ Sci & Technol, State Key Lab Laser Technol, Wuhan 430074, Peoples R China
3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China
Recommended Citation
GB/T 7714
Yao, KL,Wang, LQ,Liu, ZL,et al. Ab-initio study of electronic structure and magnetic properties of Pipz-H-2[MnF4(HF2)][J]. CHINESE PHYSICS LETTERS,2003,20(10):1710-1713.
APA Yao, KL.,Wang, LQ.,Liu, ZL.,Zou, WD.,Luo, SJ.,...&Zhu, L.(2003).Ab-initio study of electronic structure and magnetic properties of Pipz-H-2[MnF4(HF2)].CHINESE PHYSICS LETTERS,20(10),1710-1713.
MLA Yao, KL,et al."Ab-initio study of electronic structure and magnetic properties of Pipz-H-2[MnF4(HF2)]".CHINESE PHYSICS LETTERS 20.10(2003):1710-1713.
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