Engelhardt, L., Gass, I.A., Milios, C. J., Brechin, E.K., Murrie, M. , Prozorov, R., Vannette, M. and Luban, M. (2007) Heisenberg model of an {Fe8}-cubane cluster. Physical Review B, 76(17), p. 172406. (doi: 10.1103/PhysRevB.76.172406 Francis Marion Univ, Dept Phys & Astron, Florence, SC 29501 USA. Univ Edinburgh, Sch Chem, Edinburgh EH9 3JJ, Midlothian, Scotland. Univ Glasgow, Dept Chem, Glasgow G12 8QQ, Lanark, Scotland. Iowa State Univ Sci & Technol, Dept)
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Abstract
An analysis of the measured magnetic susceptibility of the recently synthesized magnetic molecule {Fe-8}-cubane ([(Fe8O4)-O-III(sao)(8)(py)(4)]) leads to a detailed proposal based on an isotropic Heisenberg model for the interactions between the eight Fe-III ions. In the theoretical model, the magnetic ions are situated on the vertices of a cube with one exchange constant linking nearest neighbors and a second exchange constant (appearing as a single diagonal across each of the six faces of the cube) linking four of the eight ions on alternate sites. Excellent agreement between the experimental and theoretical susceptibility data is achieved, thereby providing estimates for the numerical values of the two exchange constants. Independent tests of the theoretical model are proposed in terms of inelastic neutron scattering and high-field magnetic susceptibility measurements at low temperatures that would probe the predicted low-lying magnetic energy levels of the system.
| Item Type: | Articles |
|---|---|
| Keywords: | CLUSTER ENERGIES ENERGY EXCHANGE FE-III HEISENBERG MODEL ION IONS LOW-TEMPERATURE MODEL MOLECULE NEUTRON NEUTRON-SCATTERING SCATTERING SINGLE SINGLE-MOLECULE MAGNETS SYSTEM TEMPERATURE TEMPERATURES |
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Murrie, Professor Mark |
| Authors: | Engelhardt, L., Gass, I.A., Milios, C. J., Brechin, E.K., Murrie, M., Prozorov, R., Vannette, M., and Luban, M. |
| College/School: | College of Science and Engineering > School of Chemistry |
| Journal Name: | Physical Review B |
| Publisher: | American Physical Society |
| ISSN: | 1098-0121 |
| ISSN (Online): | 1550-235X |
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