2007/03/23 by O. Waldmann, R. Bircher, Graham Carver +4
Chemistry · Materials Science · Physics and Astronomy · #Advanced NMR Techniques and Applications #Antiferromagnetism #Atomic physics #Condensed matter physics #Coupling (piping) #Coupling constant #Ground state #Inelastic neutron scattering #Lanthanide and Transition Metal Complexes #Magnetism in coordination complexes #Materials science #Multiplet #Neutron #Neutron scattering #Nuclear physics #Physics #Quantum mechanics #Spectral line #Spin (aerodynamics) #Thermodynamics #cond-mat.mes-hall #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.75.174438
published as Phys. Rev. B 75, 174438 (2007). · 11 pages, 6 figures, REVTEX4, to appear in PRB
arxiv created 2007/03/23 · openalex publication_date 2007/05/24 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
The Q dependence of the inelastic neutron scattering (INS) intensity of transitions within the ground-state spin multiplet of single-molecule magnets is considered. For these transitions, the Q dependence is related to the spin density map in the ground state, which, in turn, is governed by the Heisenberg-exchange interactions in the cluster. This provides the possibility to infer the exchange-coupling constants from the Q dependence of the INS transitions within the spin ground state. The potential of this strategy is explored for the M=\ifmmode±\else\textpm\fi10\ensuremath→\ifmmode±\else\textpm\fi9 transition within the S=10 multiplet of the molecule Mn12 as an example. The Q dependence is calculated for powder as well as single-crystal Mn12 samples for various exchange-coupling situations discussed in the literature. The results are compared to literature data on a powder sample of Mn12 and to measurements on an oriented array of about 500 single crystals of Mn12. The calculated Q dependence exhibits significant variation with the exchange-coupling constants, in particular, for a single-crystal sample, but the experimental findings did not permit an unambiguous determination. However, although challenging, suitable experiments are within reach of today's instruments.