L. Beaury et al., THE CORRELATION BETWEEN THE OPTICAL-ABSORPTION SPECTRUM AND PARAMAGNETIC PROPERTIES OF NEODYMIUM TRIFLUORIDE, Journal of physics. Condensed matter, 6(27), 1994, pp. 5169-5180
The 4f3 configuration of Nd3+ in NdF3 has been revisited. The real poi
nt symmetry of the crystalline matrix-C3-been considered for the simul
ation, which means 15 crystal field parameters (CFPS). The simulation
has been conducted by considering together the energy level scheme der
ived from the optical absorption spectra and the paramagnetic suscepti
bility and its variation with the temperature and the g values of the
ground level. It is shown that only a single set of CFPS reproduces th
is information correctly, whereas various sets are found if only the e
nergy level scheme is retained in the simulation process.