The spin Hamiltonian parameters (g-factors and the hyperfine structure constants) and local structure are theoretically studied for single Cu²⁺ ion in BaF₂ from the high-order perturbation formulae of these parameters for 3d⁹ ions in tetragonally elongated octahedra. In the calculations, the ligand orbital and spin-orbit coupling of the impurity Cu²⁺ are taken into account, based on the cluster approach. Due to the Jahn-Teller effect and size mismatching substitution, the impurity Cu²⁺ is found to be located at a distance of about 0.2 Å from the nearest fluorine plane. The signs of the hyperfine structure constants A_∥ and A_⊥ are suggested. The theoretical spin Hamiltonian parameters based on the above local structure are in good agreement with the observed values.
Coexisting low-energy scales are observed in f-electron materials. The information about some of low-energy scales is imprinted in the electron self-energy, which can be measured by angle-resolved photoemission (ARPES). Such measurements in d-electron materials over the last decade were based on high energy- and momentum- resolution ARPES techniques used to extract the self-energy information from measured spectra. Simultaneously, many-body theoretical approaches have been developed to find a link between the self-energy and many-body interactions. Here we show the transcription of such methods from d-electrons to f-electrons by presenting the first example of low energy scales in the f-electron material USb_2, measured with synchrotron-based ARPES. The proposed approach will help in answering the fundamental questions about the complex nature of the heavy fermion state.
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