Investigations of the spin hamiltonian parameters and local structure for Cr3+inK2PdCl4 single crystal
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| Formato: | Artículo científico |
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Sociedad Mexicana de Física A.C.
2017
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| _version_ | 1876436994026897408 |
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| author | Xu-Sheng Liu |
| author_facet | Xu-Sheng Liu |
| contents | Investigations of the spin hamiltonian parameters and local structure for Cr3+inK2PdCl4 single crystal Xu-Sheng Liu Shao-Yi Wu Li-Na Wu Li Peng Li-Juan Zhang Hui-Ning Dong Física, Astronomía y Matemáticas Cr 3+ K 2 PdCl 4 defect structures Electron paramagnetic resonance The spin Hamiltonian parameters (SHPs) (g factors and zero-field splittings (ZFSs) D and E) and the local structure for Cr 3+ in K 2 PdCl 4 single crystal are theoretically investigated from the perturbation calculations of the SHPs for an orthorhombically distorted octahedral 3d 3 cluster. The impurity Cr 3+ is found not to occupy the conventional square planar Pd 2+ site but to locate at the octahedral K + site, associated with the relative axial compression ratio ρ ( ≈ 11.1%) and the perpendicular bond length variation ratio τ ( ≈ 11.7%). The impurity centre exhibits much smaller axial compression distortion and much larger perpendicular orthorhombic distortion than the host K + site in K 2 PdCl 4 ( ρ H ≈ 18 . 6 % and τ H ≈ 0 ) and hence a more regular ligand octahedron, corresponding to the very small ZFSs. The contributions to g -shifts ∆ g CT from the CT mechanism are opposite in sign and twenty-one times larger in magnitude compared with ∆ g CF from the CF mechanism. For the ZFSs, the CT contributions D CT and E CT are opposite in sign and almost the same in magnitude with respect to the corresponding D CF and E CF . 2017 artículo científico 0035-001X https://www.redalyc.org/articulo.oa?id=57053213004 en http://www.redalyc.org/revista.oa?id=570 Revista Mexicana de Física application/pdf Sociedad Mexicana de Física A.C. Revista Mexicana de Física (México) Num.6 Vol.63 |
| format | Artículo científico |
| id | redalyc_57053213004 |
| institution | Redalyc |
| language | en |
| publishDate | 2017 |
| publisher | Sociedad Mexicana de Física A.C. |
| spellingShingle | Investigations of the spin hamiltonian parameters and local structure for Cr3+inK2PdCl4 single crystal Xu-Sheng Liu Física, Astronomía y Matemáticas Cr 3+ K 2 PdCl 4 defect structures Electron paramagnetic resonance Investigations of the spin hamiltonian parameters and local structure for Cr3+inK2PdCl4 single crystal Xu-Sheng Liu Shao-Yi Wu Li-Na Wu Li Peng Li-Juan Zhang Hui-Ning Dong Física, Astronomía y Matemáticas Cr 3+ K 2 PdCl 4 defect structures Electron paramagnetic resonance The spin Hamiltonian parameters (SHPs) (g factors and zero-field splittings (ZFSs) D and E) and the local structure for Cr 3+ in K 2 PdCl 4 single crystal are theoretically investigated from the perturbation calculations of the SHPs for an orthorhombically distorted octahedral 3d 3 cluster. The impurity Cr 3+ is found not to occupy the conventional square planar Pd 2+ site but to locate at the octahedral K + site, associated with the relative axial compression ratio ρ ( ≈ 11.1%) and the perpendicular bond length variation ratio τ ( ≈ 11.7%). The impurity centre exhibits much smaller axial compression distortion and much larger perpendicular orthorhombic distortion than the host K + site in K 2 PdCl 4 ( ρ H ≈ 18 . 6 % and τ H ≈ 0 ) and hence a more regular ligand octahedron, corresponding to the very small ZFSs. The contributions to g -shifts ∆ g CT from the CT mechanism are opposite in sign and twenty-one times larger in magnitude compared with ∆ g CF from the CF mechanism. For the ZFSs, the CT contributions D CT and E CT are opposite in sign and almost the same in magnitude with respect to the corresponding D CF and E CF . 2017 artículo científico 0035-001X https://www.redalyc.org/articulo.oa?id=57053213004 en http://www.redalyc.org/revista.oa?id=570 Revista Mexicana de Física application/pdf Sociedad Mexicana de Física A.C. Revista Mexicana de Física (México) Num.6 Vol.63 |
| title | Investigations of the spin hamiltonian parameters and local structure for Cr3+inK2PdCl4 single crystal |
| topic | Física, Astronomía y Matemáticas Cr 3+ K 2 PdCl 4 defect structures Electron paramagnetic resonance |
| url | https://www.redalyc.org/articulo.oa?id=57053213004 |