Journal
PHYSICAL REVIEW B
Volume 79, Issue 10, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.104407
Keywords
crystal field interactions; crystal symmetry; electronic structure; infrared spectra; magnetic susceptibility; molecular magnetism; neutron diffraction; organic compounds; specific heat; thulium compounds; ultraviolet spectra; visible spectra
Funding
- European Commission Network of Excellence ACTINET [ACT-07-1]
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The magnetic and electronic properties of a Tm-based double-decker phtalocyanine complex are extensively investigated by several spectroscopic (optical absorption, inelastic neutron-scattering) and bulk (specific-heat) techniques. The resulting low-energy spectrum is exploited to obtain direct information on the ligand field. We show that the literature value of the second-order parameter A(2)(0) is significantly overestimated and that the additional parameters arising from the true C(4) point symmetry (instead of the usually assumed ideal D(4d) symmetry) at the rare-earth site cannot be neglected on this energy scale, while the presence of further symmetry reduction at low temperature is highly unlikely. The effect of the proposed ligand-field parameters on the relaxation properties of the Tb-based double-decker single-molecule magnet is briefly discussed.
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