| Revue: | Revista mexicana de física |
| Base de datos: | PERIÓDICA |
| Número de sistema: | 000427167 |
| ISSN: | 0035-001X |
| Autores: | Liu, Xu-Sheng1 Wu, Shao-Yi1 Wu, Li-Na1 Peng, Li1 Zhang, Li-Juan1 Dong, Hui-Ning2 |
| Instituciones: | 1University of Electronic Science and Technology of China, Department of Applied Physics, Chengdu, Sichuan. China 2East China Normal University, Shanghai. China |
| Año: | 2017 |
| Periodo: | Nov-Dic |
| Volumen: | 63 |
| Número: | 6 |
| País: | México |
| Idioma: | Inglés |
| Tipo de documento: | Artículo |
| Enfoque: | Analítico, teórico |
| Resumen en inglés | The spin Hamiltonian parameters (SHPs) (g factors and zero-field splittings (ZFSs) D and E) and the local structure for Cr3+ in K2PdCl4 single crystal are theoretically investigated from the perturbation calculations of the SHPs for an orthorhombically distorted octahedral 3d3 cluster. The impurity Cr3+ is found not to occupy the conventional square planar Pd2+ 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 K2PdCl4 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 Δ g C T from the CT mechanism are opposite in sign and twenty-one times larger in magnitude compared with Δ g C F from the CF mechanism. For the ZFSs, the CT contributions DCT and ECT are opposite in sign and almost the same in magnitude with respect to the corresponding DCF and ECF |
| Disciplinas: | Física y astronomía |
| Palabras clave: | Resonancia electrónica paramagnética, Estructuras de defectos, Hamiltonianos |
| Keyword: | Electron paramagnetic resonance, Defect structures, Hamiltonians |
| Texte intégral: | Texto completo (Ver HTML) Texto completo (Ver PDF) |
