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Title: Refined model of the {Fe9} magnetic molecule from low-temperature inelastic neutron scattering studies

We present a refined model of the {Fe9} tridiminished icosahedron magnetic molecule system. This molecule was originally modeled as being composed of two ({Fe3} and {Fe6}) clusters, with the Fe3+ ions within each cluster being coupled via exchange interactions, but with no coupling between the clusters. The present inelastic neutron scattering (INS) measurements were used to probe the low-lying energy spectrum of {Fe9}, and these results demonstrate that the previously published model of two uncoupled clusters is incomplete. To achieve agreement between the experiment and theory, we have augmented the model with relatively small exchange coupling between the clusters. A combination of Lanczos matrix diagonalization and quantum Monte Carlo simulations have been used to achieve good agreement between the experimental data and the improved model of the full {Fe9} system despite the complexity of this model (with Hilbert space dimension >107).
 [1] ;  [2] ;  [3] ;  [4] ;  [4] ;  [4]
  1. Francis Marion University
  2. Rutherford Appleton Laboratory
  3. Ames Laboratory
  4. The University of Manchester
Publication Date:
OSTI Identifier:
Report Number(s):
IS-J 8466
Journal ID: ISSN 1098-0121; PRBMDO; ArticleNumber: 214415
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics; Journal Volume: 89; Journal Issue: 21
American Physical Society (APS)
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States