Crystal field of rare earth impurities in LaF${}_3$

Abstract

The crystal field parameters of 13 trivalent lanthanide ions substituted for La in LaF${}_3$ were calculated using the combination of the band structure and Wannier function calculations. Performing an atomic exact diagonalization with thus obtained crystal-field parameters we compute the crystal-field splitting of atomic multiplets. The calculation is compared with the available experimental results and a good agreement is found.

References in corpus (1)

• Crystal field theory of Co${}^{2+}$ in doped ZnO

Cited by in corpus (2)

• Crystal field effects in the zig-zag chain compound SrTm${}_2$O${}_4$
• Refining spectroscopic calculations for trivalent lanthanide ions: a revised parametric Hamiltonian and open-source solution