The correlation between the optical absorption spectrum and paramagnetic properties of neodymium trifluoride

Abstract

The 4P carQumIion of Nd3+ in NdF3 has been revisited, ?be real point symmetry of the crysWline matrix<~--has been considered for the simulation, which means 15 crystal field parametea (em). The simulation has been conducted by considering together the energy level scheme derived from the optical absorption spectra and the paramagnetic susceptibility and its variation with the temperature and the g values of the p u n d level. It is shown that only a single set of CFPs repmduces this infomation correctly. whereas various sets are found if only the e n m level scheme is retained in the simulation process.

Relationship between phenomenological crystal field parameters and the crystal structure: The simple overlap model

“…This underlines the possibility of Ðnding di †erent sets of experimental cfps when the energy level scheme is incomplete or when the low point symmetry involves a greater number of non-zero cfps and the experimental irreducible representations associated with each energy level are not determined. 47 Another interesting and sensitive test for the SOM lies in the results obtained for an isostructural series in which there is smooth variation of the metalÈligand bond length and of the radial integrals. Fig.…”

The blue allotropic form of Co2+:Na2CoP2O7: optical and magnetic properties, correlation with crystallographic data

“…The paramagnetic susceptibility w is calculated according to the van Vleck formula [17,23]. The used wavefunctions are derived from the sets of parameters obtained above ( Table 1).…”

A New Nasicon-Type Phosphate:Co0.5Ti2(PO4)3II. Simulation of Optical and Magnetic Properties

“…In addition to the classical electrostatic repulsion, spin-orbit coupling, and crystal field interaction, others of smaller impact, like two-and three-body interactions, together with magnetic ones, can be introduced. It is general practice to conduct the simulation of the 4f , configurations with about 20 phenomenological parameters (1). Nevertheless, attention was ini-To whom correspondence should be addressed: Chimie Applique´e de l'Etat Solide-ENSCP, 11 tially focused on the 3d, electron configurations, since most of the theories were based on the optical results of these configurations.…”