R. Gupta et al., MAGNETIC MEASUREMENTS AND THE NATURE OF CRYSTAL-FIELD IN ND-2(SO4)(3)CENTER-DOT-8H(2)O, Physica status solidi. b, Basic research, 196(1), 1996, pp. 155-162
Magnetic measurements on octahydrated neodymium sulphate have been car
ried out in the temperature range 80 to 300 K and analysis of the resu
lts has been performed using a crystal field of D-4h symmetry. The mos
t rigorous approach of direct diagonalization of tile Hamiltonian matr
ix constructed in the complete basis of states belonging to all atomic
terms of the Nd3+ ion has been employed to evaluate the set of energy
level parameters including crystal field parameters. The Hamiltonian
consists of terms representing free ion (Coulomb and spin-orbit), crys
tal field, and two-body configuration interactions. It has also been d
emonstrated that for a correct evaluation of crystal field parameters
it is absolutely necessary to work with a complete basis ill the rigor
ous framework rather than with a partial basis.