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Publication

Quantifying uncertainties in crystal electric field Hamiltonian fits to neutron data...

by Allen O Scheie
Publication Type
Journal
Journal Name
SciPost Physics Core
Publication Date
Page Numbers
018 to 018
Volume
5
Issue
1

We systematically examine uncertainties from fitting rare earth single-ion crystal electric field (CEF) Hamiltonians to inelastic neutron scattering data. Using pyrochlore and delafossite structures as test cases, we find that uncertainty in CEF parameters can be large despite visually excellent fits. These results show Yb$^{3+}$ compounds have particularly large $g$-tensor uncertainty because of the few available peaks. In such cases, additional constraints are necessary for meaningful fits.