High energy excitations measured by neutron spectroscopy in FePS3

The quasi-two-dimensional antiferromagnet FePS3 has been investigated using inelastic neutron spectroscopy with the time-of-flight spectrometer HET at the ISIS spallation neutron source. In the paramagnetic regime, two clearly resolved, high energy excitations were observed in the low scattering angle detector banks at 195(5) meV and 430(10) meV. The absence of these transitions from the high angle detector banks indicates that they are likely to be due to the crystal fields and magnetic in origin. The two transitions most probably represent electronic transitions in the Fe2+ ion among the low lying crystal field and spin-orbit split levels raised from the ground state. It has not yet been determined why the energies are greater than those observed in a comparable Raman experiment.