Quantifying uncertainties in crystal electric field Hamiltonian fits to neutron data

Abstract

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.

12 pages, 5 figures

References in corpus (4)

• Impact of Stoichiometry of Yb2Ti2O7 on its Physical Properties
• Spin excitations in the frustrated triangular lattice antiferromagnet NaYbO${}_2$
• Yb delafossites: unique exchange frustration of 4f spin 1/2 moments on a perfect triangular lattice
• Systematic extraction of crystal electric-field effects and quantum magnetic model parameters in triangular rare-earth magnets

Cited by in corpus (1)

• Non-linear magnons and exchange Hamiltonians of delafossite proximate quantum spin liquids