Abstract
A free-ion-model crystal-field calculation has been performed for YAl:. A free-ion calculation was done by fitting a free-ion Hamiltonian, which included Coulomb, spin-orbit, configuration, spin-spin, and spin-other-orbit interactions. The coefficients which gave the best least-squares deviation of the calculated centers of gravity from the observed centers of gravity were , , , , , , , , , , , , , , , , , , with an rms deviation of 29.1; where all quantities have units of . The intermediate-coupled free-ion vectors were then used to fit a () Hamiltonian to the observed Stark splittings. The crystal-field parameters obtained from a previous calculation on YAl: were used as starting parameters. The parameters which gave the best fit to the observed YAl: Stark spectra were , , , , , , , , , , , , , , with an rms deviation of 6.9; where all units are in .
- Received 24 June 1976
DOI:https://doi.org/10.1103/PhysRevB.15.10
©1977 American Physical Society