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INVESTIGATIONS OF THE SPIN HAMILTONIAN PARAMETERS AND THE LOCAL STRUCTURE FOR THE RHOMBIC Cu2+ CENTER IN RUTILE
Zhang, Hua-Ming1; Wu, Shao-Yi1,2; Xu, Pei1; Li, Li-Li1
Corresponding AuthorWu, Shao-Yi(shaoyi_wu@uestc.edu.cn)
2010-08-30
Source PublicationMODERN PHYSICS LETTERS B
ISSN0217-9849
Volume24Issue:22Pages:2357-2364
AbstractThe spin Hamiltonian parameters (the anisotropic g factors and the hyperfine structure constants) and the local structure for the rhombic Cu2+ center in rutile (TiO2) are theoretically investigated using the formulas of these parameters for a 3d(9) ion in rhombically elongated octahedra. From the studies, the planar impurity-ligand bond angle is found to be about 5.8 degrees larger than that for the host Ti4+ site due to the Jahn-Teller effect via bending the planar Cu2+-O2- bonds, which yields much smaller rhombic distortion in the impurity center. The theoretical spin Hamiltonian parameters based on the above local angular distortion show good agreement with the experimental data, and the improvement of the calculation results are also achieved as compared with those of the previous works.
KeywordCrystal-fields and spin Hamiltonians electron paramagnetic resonance (EPR) Cu2+ rutile
Funding OrganizationUESTC
DOI10.1142/S0217984910024687
Indexed BySCI
Language英语
Funding ProjectUESTC
WOS Research AreaPhysics
WOS SubjectPhysics, Applied ; Physics, Condensed Matter ; Physics, Mathematical
WOS IDWOS:000281431400008
PublisherWORLD SCIENTIFIC PUBL CO PTE LTD
Citation statistics
Cited Times:13[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/102548
Collection中国科学院金属研究所
Corresponding AuthorWu, Shao-Yi
Affiliation1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China
2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Hua-Ming,Wu, Shao-Yi,Xu, Pei,et al. INVESTIGATIONS OF THE SPIN HAMILTONIAN PARAMETERS AND THE LOCAL STRUCTURE FOR THE RHOMBIC Cu2+ CENTER IN RUTILE[J]. MODERN PHYSICS LETTERS B,2010,24(22):2357-2364.
APA Zhang, Hua-Ming,Wu, Shao-Yi,Xu, Pei,&Li, Li-Li.(2010).INVESTIGATIONS OF THE SPIN HAMILTONIAN PARAMETERS AND THE LOCAL STRUCTURE FOR THE RHOMBIC Cu2+ CENTER IN RUTILE.MODERN PHYSICS LETTERS B,24(22),2357-2364.
MLA Zhang, Hua-Ming,et al."INVESTIGATIONS OF THE SPIN HAMILTONIAN PARAMETERS AND THE LOCAL STRUCTURE FOR THE RHOMBIC Cu2+ CENTER IN RUTILE".MODERN PHYSICS LETTERS B 24.22(2010):2357-2364.
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