Electronic Structure and Properties of EuO and EuS in the Molecular-Cluster Approximation.

摘要

Molecular-cluster models are developed to describe ground-state properties of EuO and EuS in the Hartree-Fock-Slater one-electron approximation. Spin-polarized (EuX6)(10-) complexes are examined using both neutral- and ionic-model potentials which incorporate a good part of the effect of the crystalline environment. Self-consistent calculations are made for (EuO6)(10-). From the charge and spin densities, the transferred hyperfine field at the O site in EuO is found to be -8 + or - kG and a small solid-state bonding effect is predicted for the neutron magnetic form factor.